1-[(3-cyanophenyl)methyl]-6-methoxy-indole-2-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methyl]-6-methoxy-indole-2-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methyl]-6-methoxy-indole-2-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-6-methoxy-2-indolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]-6-methoxyindole-2-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)-6-methoxy-indole-2-carboxylic acid Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(N2CC3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(N2CC3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C18H14N2O3/c1-23-15-6-5-14-8-17(18(21)22)20(16(14)9-15)11-13-4-2-3-12(7-13)10-19/h2-9H,11H2,1H3,(H,21,22)