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

Systemtic Name: 2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-7-(furan-2-yl)-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-7-(2-furyl)-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-7-(2-furanyl)-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 3-benzyl-2-(4-tert-butyl-3-methoxybenzoyl)-7-(furan-2-yl)-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-7-(2-furyl)-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C33H33NO5 MolecularWeight: 523.61882

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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)C5=CC=CO5)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)C5=CC=CO5)OC

InChI

InChI=1S/C33H33NO5/c1-32(2,3)27-15-14-24(18-29(27)38-4)30(35)34-21-26-17-23(28-11-8-16-39-28)12-13-25(26)20-33(34,31(36)37)19-22-9-6-5-7-10-22/h5-18H,19-21H2,1-4H3,(H,36,37)