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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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