[6-chloranyl-3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: [6-chloranyl-3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: [6-chloro-3-(3-ethoxy-3-oxo-propyl)-4-methyl-2-oxo-chromen-7-yl] 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid [6-chloro-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [6-chloro-3-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxochromen-7-yl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid [6-chloro-3-(3-ethoxy-3-keto-propyl)-2-keto-4-methyl-chromen-7-yl] ester Formula: C31H34ClNO8 MolecularWeight: 584.05656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4)Cl)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OC(=O)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C31H34ClNO8/c1-3-38-28(34)14-13-23-19(2)24-15-25(32)27(16-26(24)40-30(23)36)41-29(35)22-11-9-20(10-12-22)17-33-31(37)39-18-21-7-5-4-6-8-21/h4-8,15-16,20,22H,3,9-14,17-18H2,1-2H3,(H,33,37)