2-[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(4-cyanophenyl)amino]-2-(3-methoxy-4-phenylmethoxy-phenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(4-benzoxy-3-methoxy-phenyl)-2-(4-cyanoanilino)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C33H29N3O5 MolecularWeight: 547.60046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)N2CC3=CC=CC=C3CC2C(=O)O)NC4=CC=C(C=C4)C#N)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)N2CC3=CC=CC=C3CC2C(=O)O)NC4=CC=C(C=C4)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C33H29N3O5/c1-40-30-18-25(13-16-29(30)41-21-23-7-3-2-4-8-23)31(35-27-14-11-22(19-34)12-15-27)32(37)36-20-26-10-6-5-9-24(26)17-28(36)33(38)39/h2-16,18,28,31,35H,17,20-21H2,1H3,(H,38,39)