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

Systemtic Name: 3-[5-(3-methoxyphenyl)pyridin-3-yl]-1-(2-piperidin-1-ylethyl)indole-4-carboxylic acid Openeye Name: 3-[5-(3-methoxyphenyl)-3-pyridyl]-1-[2-(1-piperidyl)ethyl]indole-4-carboxylic acid CAS Name: 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-[2-(1-piperidinyl)ethyl]-4-indolecarboxylic acid IUPAC Name: 3-[5-(3-methoxyphenyl)pyridin-3-yl]-1-(2-piperidin-1-ylethyl)indole-4-carboxylic acid Traditional Name: 3-[5-(3-methoxyphenyl)-3-pyridyl]-1-(2-piperidinoethyl)indole-4-carboxylic acid Formula: C28H29N3O3 MolecularWeight: 455.54816

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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)CCN5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CN=C2)C3=CN(C4=CC=CC(=C43)C(=O)O)CCN5CCCCC5

InChI

InChI=1S/C28H29N3O3/c1-34-23-8-5-7-20(16-23)21-15-22(18-29-17-21)25-19-31(14-13-30-11-3-2-4-12-30)26-10-6-9-24(27(25)26)28(32)33/h5-10,15-19H,2-4,11-14H2,1H3,(H,32,33)