N-[(2R)-1-(4-butanoyl-4-phenyl-piperidin-1-yl)-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-3-(1H-imidazol-5-yl)propanamide

Systemtic Name: N-[(2R)-1-(4-butanoyl-4-phenyl-piperidin-1-yl)-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-3-(1H-imidazol-5-yl)propanamide Openeye Name: N-[(1R)-2-(4-butanoyl-4-phenyl-1-piperidyl)-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]-3-(1H-imidazol-5-yl)propanamide CAS Name: 3-(1H-imidazol-5-yl)-N-[(2R)-3-(4-methoxyphenyl)-1-oxo-1-[4-(1-oxobutyl)-4-phenyl-1-piperidinyl]propan-2-yl]propanamide IUPAC Name: N-[(2R)-1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide Traditional Name: N-[(1R)-2-(4-butyryl-4-phenyl-piperidino)-2-keto-1-p-anisyl-ethyl]-3-(1H-imidazol-5-yl)propionamide Formula: C31H38N4O4 MolecularWeight: 530.65782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)OC)NC(=O)CCC3=CN=CN3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)OC)NC(=O)CCC3=CN=CN3)C4=CC=CC=C4

InChI

InChI=1S/C31H38N4O4/c1-3-7-28(36)31(24-8-5-4-6-9-24)16-18-35(19-17-31)30(38)27(20-23-10-13-26(39-2)14-11-23)34-29(37)15-12-25-21-32-22-33-25/h4-6,8-11,13-14,21-22,27H,3,7,12,15-20H2,1-2H3,(H,32,33)(H,34,37)/t27-/m1/s1