1-[[(3S)-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[(3S)-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[(3S)-2-[(4-hydroxy-3-methoxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[(3S)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3S)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[(3S)-2-vanillyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]isonipecotamide Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CC3=CC=CC=C3CC2C(=O)N4CCC(CC4)C(=O)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CC3=CC=CC=C3C[C@H]2C(=O)N4CCC(CC4)C(=O)N)O

InChI

InChI=1S/C24H29N3O4/c1-31-22-12-16(6-7-21(22)28)14-27-15-19-5-3-2-4-18(19)13-20(27)24(30)26-10-8-17(9-11-26)23(25)29/h2-7,12,17,20,28H,8-11,13-15H2,1H3,(H2,25,29)/t20-/m0/s1