[3-(3-phenoxyphenyl)-2-[(phenylmethyl)amino]propanoyl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate

Systemtic Name: [3-(3-phenoxyphenyl)-2-[(phenylmethyl)amino]propanoyl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Openeye Name: [2-(benzylamino)-3-(3-phenoxyphenyl)propanoyl] 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylate CAS Name: 4-(phenylmethoxycarbonylaminomethyl)-1-cyclohexanecarboxylic acid [1-oxo-3-(3-phenoxyphenyl)-2-[(phenylmethyl)amino]propyl] ester IUPAC Name: [2-(benzylamino)-3-(3-phenoxyphenyl)propanoyl] 4-(phenylmethoxycarbonylaminomethyl)cyclohexane-1-carboxylate Traditional Name: 4-(benzyloxycarbonylaminomethyl)cyclohexanecarboxylic acid [2-(benzylamino)-3-(3-phenoxyphenyl)propanoyl] ester Formula: C38H40N2O6 MolecularWeight: 620.734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)OC(=O)C(CC3=CC(=CC=C3)OC4=CC=CC=C4)NCC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CNC(=O)OCC2=CC=CC=C2)C(=O)OC(=O)C(CC3=CC(=CC=C3)OC4=CC=CC=C4)NCC5=CC=CC=C5

InChI

InChI=1S/C38H40N2O6/c41-36(32-21-19-29(20-22-32)26-40-38(43)44-27-30-13-6-2-7-14-30)46-37(42)35(39-25-28-11-4-1-5-12-28)24-31-15-10-18-34(23-31)45-33-16-8-3-9-17-33/h1-18,23,29,32,35,39H,19-22,24-27H2,(H,40,43)