[2-tert-butyl-6-[[cycloheptyl-(4-dimethylaminophenyl)carbamoyl]amino]-4-methoxy-phenyl] 2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-tert-butyl-6-[[cycloheptyl-(4-dimethylaminophenyl)carbamoyl]amino]-4-methoxy-phenyl] 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-tert-butyl-6-[[cycloheptyl-(4-dimethylaminophenyl)carbamoyl]amino]-4-methoxy-phenyl] 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic acid [2-tert-butyl-6-[[[N-cycloheptyl-4-(dimethylamino)anilino]-oxomethyl]amino]-4-methoxyphenyl] ester IUPAC Name: [2-tert-butyl-6-[[cycloheptyl-(4-dimethylaminophenyl)carbamoyl]amino]-4-methoxyphenyl] 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid [2-tert-butyl-6-[[cycloheptyl-(4-dimethylaminophenyl)carbamoyl]amino]-4-methoxy-phenyl] ester Formula: C38H50N4O6 MolecularWeight: 658.8268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)NC(=O)N(C2CCCCCC2)C3=CC=C(C=C3)N(C)C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)NC(=O)N(C2CCCCCC2)C3=CC=C(C=C3)N(C)C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C38H50N4O6/c1-26(39-37(45)47-25-27-15-11-10-12-16-27)35(43)48-34-32(38(2,3)4)23-31(46-7)24-33(34)40-36(44)42(29-17-13-8-9-14-18-29)30-21-19-28(20-22-30)41(5)6/h10-12,15-16,19-24,26,29H,8-9,13-14,17-18,25H2,1-7H3,(H,39,45)(H,40,44)