1-[(3-cyanophenyl)methyl]-3-methoxycarbonyl-indole-2-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methyl]-3-methoxycarbonyl-indole-2-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methyl]-3-methoxycarbonyl-indole-2-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-3-methoxycarbonyl-2-indolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]-3-methoxycarbonylindole-2-carboxylic acid Traditional Name: 3-carbomethoxy-1-(3-cyanobenzyl)indole-2-carboxylic acid Formula: C19H14N2O4 MolecularWeight: 334.32546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

COC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C19H14N2O4/c1-25-19(24)16-14-7-2-3-8-15(14)21(17(16)18(22)23)11-13-6-4-5-12(9-13)10-20/h2-9H,11H2,1H3,(H,22,23)