(3R)-2-[(2R,3S)-1-(4-methoxyphenyl)-6-oxidanylidene-2-phenyl-piperidin-3-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-[(2R,3S)-1-(4-methoxyphenyl)-6-oxidanylidene-2-phenyl-piperidin-3-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-[(2R,3S)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-piperidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[[(2R,3S)-1-(4-methoxyphenyl)-6-oxo-2-phenyl-3-piperidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-[(2R,3S)-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[(2R,3S)-6-keto-1-(4-methoxyphenyl)-2-phenyl-nipecotoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)N3CC4=CC=CC=C4CC3C(=O)N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)N3CC4=CC=CC=C4C[C@@H]3C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4/c1-36-23-13-11-22(12-14-23)32-26(33)16-15-24(27(32)19-7-3-2-4-8-19)29(35)31-18-21-10-6-5-9-20(21)17-25(31)28(30)34/h2-14,24-25,27H,15-18H2,1H3,(H2,30,34)/t24-,25+,27-/m0/s1