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

Systemtic Name: 7-aminocarbonyl-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)-7-carbamoyl-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-7-carbamoyl-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 3-benzyl-2-(4-tert-butyl-3-methoxybenzoyl)-7-carbamoyl-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-7-carbamoyl-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C30H32N2O5 MolecularWeight: 500.58548

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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)N)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)N)OC

InChI

InChI=1S/C30H32N2O5/c1-29(2,3)24-13-12-21(15-25(24)37-4)27(34)32-18-23-14-20(26(31)33)10-11-22(23)17-30(32,28(35)36)16-19-8-6-5-7-9-19/h5-15H,16-18H2,1-4H3,(H2,31,33)(H,35,36)