[[(E)-3-(cyclopentyloxycarbamoyl)-2-(2-methylpropyl)-6-phenyl-hex-5-enoyl]amino] 3-phenylpropanoate

Systemtic Name: [[(E)-3-(cyclopentyloxycarbamoyl)-2-(2-methylpropyl)-6-phenyl-hex-5-enoyl]amino] 3-phenylpropanoate Openeye Name: [[(E)-3-(cyclopentoxycarbamoyl)-2-isobutyl-6-phenyl-hex-5-enoyl]amino] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [[(E)-3-[(cyclopentyloxyamino)-oxomethyl]-2-(2-methylpropyl)-1-oxo-6-phenylhex-5-enyl]amino] ester IUPAC Name: [[(E)-3-(cyclopentyloxycarbamoyl)-2-(2-methylpropyl)-6-phenylhex-5-enoyl]amino] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [[(E)-3-(cyclopentoxycarbamoyl)-2-isobutyl-6-phenyl-hex-5-enoyl]amino] ester Formula: C31H40N2O5 MolecularWeight: 520.6597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=CC1=CC=CC=C1)C(=O)NOC2CCCC2)C(=O)NOC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(C/C=C/C1=CC=CC=C1)C(=O)NOC2CCCC2)C(=O)NOC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C31H40N2O5/c1-23(2)22-28(31(36)33-38-29(34)21-20-25-14-7-4-8-15-25)27(19-11-16-24-12-5-3-6-13-24)30(35)32-37-26-17-9-10-18-26/h3-8,11-16,23,26-28H,9-10,17-22H2,1-2H3,(H,32,35)(H,33,36)/b16-11+