1-[(3-cyanophenyl)methyl]-4,5-dimethoxy-indole-2-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methyl]-4,5-dimethoxy-indole-2-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methyl]-4,5-dimethoxy-indole-2-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-4,5-dimethoxy-2-indolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]-4,5-dimethoxyindole-2-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)-4,5-dimethoxy-indole-2-carboxylic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C19H16N2O4/c1-24-17-7-6-15-14(18(17)25-2)9-16(19(22)23)21(15)11-13-5-3-4-12(8-13)10-20/h3-9H,11H2,1-2H3,(H,22,23)