COC(=O)[C@@H]1CC[C@H]1C(=O)c1ccc(-c2ccc(N)cc2)cc1
Name: trans-methyl (1R,2R)-2-[4-(4-aminophenyl)benzoyl]cyclobutane-1-carboxylate
SMILES: COC(=O)[C@@H]1CC[C@H]1C(=O)c1ccc(-c2ccc(N)cc2)cc1

Molecular Processing

Molecular formula
C19H19NO3
Molecular weight
309.37
Exact mass
309.1365
XLogP
3.32
TPSA
69.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
88.85

Supplementary Information

InChIKey: UXILPKFDYIXPOS-IAGOWNOFSA-N
Synonyme
SCHEMBL1747994UXILPKFDYIXPOS-IAGOWNOFSA-Nmethyl trans-2-[(4'-amino-1,1'-biphenyl-4-yl) carbonyl]cyclobutane-carboxylatemethyl trans-2-[(4'-amino-1,1'-biphenyl-4-yl)carbonyl]cyclobutane-carboxylatemethyl trans-2-[(4'-amino-1,1'-biphenyl-4-yl)carbonyl]cyclobutanecarboxylateracemic methyl trans-2-[(4'-amino-1,1'-biphenyl-4-yl)carbonyl]cyclobutane-carboxylateracemic methyl trans-2-[(4'-amino-1,1'-biphenyl-4-yl)carbonyl]cyclobutanecarboxylate
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