2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-3-(phenylmethyl)-1,4-dihydroisoquinoline-3,7-dicarboxylic acid

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-3-(phenylmethyl)-1,4-dihydroisoquinoline-3,7-dicarboxylic acid Openeye Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-1,4-dihydroisoquinoline-3,7-dicarboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-3-(phenylmethyl)-1,4-dihydroisoquinoline-3,7-dicarboxylic acid IUPAC Name: 3-benzyl-2-(4-tert-butyl-3-methoxybenzoyl)-1,4-dihydroisoquinoline-3,7-dicarboxylic acid Traditional Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-1,4-dihydroisoquinoline-3,7-dicarboxylic acid Formula: C30H31NO6 MolecularWeight: 501.57024

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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=CC(=C3)C(=O)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=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C30H31NO6/c1-29(2,3)24-13-12-20(15-25(24)37-4)26(32)31-18-23-14-21(27(33)34)10-11-22(23)17-30(31,28(35)36)16-19-8-6-5-7-9-19/h5-15H,16-18H2,1-4H3,(H,33,34)(H,35,36)