2-[2-oxidanylidene-2-(4-phenylpiperidin-1-yl)ethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(4-phenylpiperidin-1-yl)ethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 6-benzyloxy-2-[2-oxo-2-(4-phenyl-1-piperidyl)ethyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-[2-oxo-2-(4-phenyl-1-piperidinyl)ethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 6-benzoxy-2-[2-keto-2-(4-phenylpiperidino)ethyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C(=O)CN3CCC4=C(C3C(=O)O)C=CC(=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C(=O)CN3CCC4=C(C3C(=O)O)C=CC(=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H32N2O4/c33-28(31-16-13-24(14-17-31)23-9-5-2-6-10-23)20-32-18-15-25-19-26(11-12-27(25)29(32)30(34)35)36-21-22-7-3-1-4-8-22/h1-12,19,24,29H,13-18,20-21H2,(H,34,35)