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

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 3-benzyl-2-(4-tert-butyl-3-methoxybenzoyl)-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2(CC4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2CC3=CC=CC=C3CC2(CC4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C29H31NO4/c1-28(2,3)24-15-14-21(16-25(24)34-4)26(31)30-19-23-13-9-8-12-22(23)18-29(30,27(32)33)17-20-10-6-5-7-11-20/h5-16H,17-19H2,1-4H3,(H,32,33)