2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-6-oxidanyl-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-6-oxidanyl-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-6-hydroxy-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-6-hydroxy-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 3-benzyl-2-(4-tert-butyl-3-methoxybenzoyl)-6-hydroxy-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-6-hydroxy-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CC3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CC3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)O)OC

InChI

InChI=1S/C29H31NO5/c1-28(2,3)24-13-11-20(15-25(24)35-4)26(32)30-18-21-10-12-23(31)14-22(21)17-29(30,27(33)34)16-19-8-6-5-7-9-19/h5-15,31H,16-18H2,1-4H3,(H,33,34)