1-(2-cyanoethyl)-3-[5-(4-methoxyphenyl)pyridin-3-yl]indole-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-3-[5-(4-methoxyphenyl)pyridin-3-yl]indole-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-3-[5-(4-methoxyphenyl)-3-pyridyl]indole-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-3-[5-(4-methoxyphenyl)-3-pyridinyl]-4-indolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-3-[5-(4-methoxyphenyl)pyridin-3-yl]indole-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-3-[5-(4-methoxyphenyl)-3-pyridyl]indole-4-carboxylic acid Formula: C24H19N3O3 MolecularWeight: 397.42596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=CN=C2)C3=CN(C4=CC=CC(=C43)C(=O)O)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=CN=C2)C3=CN(C4=CC=CC(=C43)C(=O)O)CCC#N

InChI

InChI=1S/C24H19N3O3/c1-30-19-8-6-16(7-9-19)17-12-18(14-26-13-17)21-15-27(11-3-10-25)22-5-2-4-20(23(21)22)24(28)29/h2,4-9,12-15H,3,11H2,1H3,(H,28,29)