CC(C)CN1C(=O)[C@@H](CC(=O)O)O[C@H](c2ccccc2Cl)c2cc(Cl)ccc21

名称: trans-7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid

IUPAC: 2-[(3R,5S)-7-chloro-5-(2-chlorophenyl)-1-(2-methylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid

SMILES: CC(C)CN1C(=O)[C@@H](CC(=O)O)O[C@H](c2ccccc2Cl)c2cc(Cl)ccc21

Canonical SMILES: CC(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)O)C3=CC=CC=C3Cl

分子式: C21H21Cl2NO4

分子量: 422.30

InChIKey: KISAEOAFRLUWNP-UYAOXDASSA-N

InChI:

InChI=1S/C21H21Cl2NO4/c1-12(2)11-24-17-8-7-13(22)9-15(17)20(14-5-3-4-6-16(14)23)28-18(21(24)27)10-19(25)26/h3-9,12,18,20H,10-11H2,1-2H3,(H,25,26)/t18-,20-/m1/s1

PubChem CID: 22883210 →

同義語

SCHEMBL4116107KISAEOAFRLUWNP-UYAOXDASSA-Ntrans- 7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acidtrans-7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetic acid

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