이름: Crude compound 26
IUPAC: ethyl 14-[(4-methoxyphenyl)methyl]-18-(4-nitrobenzoyl)oxy-2,15-dioxo-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
SMILES:
CCOC(=O)C12CC1C=CCCCCCN(Cc1ccc(OC)cc1)C(=O)N1CC(OC(=O)c3ccc([N+](=O)[O-])cc3)CC1C(=O)N2Canonical SMILES:
CCOC(=O)C12CC1C=CCCCCCN(C(=O)N3CC(CC3C(=O)N2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=C(C=C5)OC분자식: C34H40N4O9
분자량: 648.70
InChIKey: AETSDMCBJBUOSC-UHFFFAOYSA-N
InChI:
PubChem CID: 66870501 →InChI=1S/C34H40N4O9/c1-3-46-32(41)34-20-25(34)9-7-5-4-6-8-18-36(21-23-10-16-27(45-2)17-11-23)33(42)37-22-28(19-29(37)30(39)35-34)47-31(40)24-12-14-26(15-13-24)38(43)44/h7,9-17,25,28-29H,3-6,8,18-22H2,1-2H3,(H,35,39)동의어
SCHEMBL994827AETSDMCBJBUOSC-UHFFFAOYSA-N14-(4-Methoxy-benzyl)-18-(4-nitro-benzoyloxy)-2,15-dioxo-3,14,16-triaza-tricyclo[14.3.0.0*4,6*]nonadec-7-ene-4-carboxylic acid ethyl ester
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