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

Systemtic Name: 7-(2-azanyl-2-oxidanylidene-ethoxy)-2-(4-tert-butyl-3-methoxy-phenyl)carbonyl-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 7-(2-amino-2-oxo-ethoxy)-3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-1,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 7-(2-amino-2-oxoethoxy)-2-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-3-(phenylmethyl)-1,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 7-(2-amino-2-oxoethoxy)-3-benzyl-2-(4-tert-butyl-3-methoxybenzoyl)-1,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 7-(2-amino-2-keto-ethoxy)-3-benzyl-2-(4-tert-butyl-3-methoxy-benzoyl)-1,4-dihydroisoquinoline-3-carboxylic acid Formula: C31H34N2O6 MolecularWeight: 530.61146

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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)OCC(=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)OCC(=O)N)OC

InChI

InChI=1S/C31H34N2O6/c1-30(2,3)25-13-11-21(15-26(25)38-4)28(35)33-18-23-14-24(39-19-27(32)34)12-10-22(23)17-31(33,29(36)37)16-20-8-6-5-7-9-20/h5-15H,16-19H2,1-4H3,(H2,32,34)(H,36,37)