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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCNC1)N2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

CC(C1CCCNC1)N2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H29N3O3/c1-18(20-7-5-11-29-14-20)31-17-25(27-24(28(32)33)9-4-10-26(27)31)22-12-21(15-30-16-22)19-6-3-8-23(13-19)34-2/h3-4,6,8-10,12-13,15-18,20,29H,5,7,11,14H2,1-2H3,(H,32,33)