methyl 2-(3-cyclohexylpropyl)-5-phenyl-3-[(4-pyridin-3-ylphenyl)carbonylamino]pentanoate

Systemtic Name: methyl 2-(3-cyclohexylpropyl)-5-phenyl-3-[(4-pyridin-3-ylphenyl)carbonylamino]pentanoate Openeye Name: methyl 2-(3-cyclohexylpropyl)-5-phenyl-3-[[4-(3-pyridyl)benzoyl]amino]pentanoate CAS Name: 2-(3-cyclohexylpropyl)-3-[[oxo-[4-(3-pyridinyl)phenyl]methyl]amino]-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-(3-cyclohexylpropyl)-5-phenyl-3-[(4-pyridin-3-ylbenzoyl)amino]pentanoate Traditional Name: 2-(3-cyclohexylpropyl)-5-phenyl-3-[[4-(3-pyridyl)benzoyl]amino]valeric acid methyl ester Formula: C33H40N2O3 MolecularWeight: 512.6823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC1CCCCC1)C(CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C(CCCC1CCCCC1)C(CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CN=CC=C4

InChI

InChI=1S/C33H40N2O3/c1-38-33(37)30(16-8-14-25-10-4-2-5-11-25)31(22-17-26-12-6-3-7-13-26)35-32(36)28-20-18-27(19-21-28)29-15-9-23-34-24-29/h3,6-7,9,12-13,15,18-21,23-25,30-31H,2,4-5,8,10-11,14,16-17,22H2,1H3,(H,35,36)