3-(5-phenylpyridin-3-yl)-1-(1-piperidin-3-ylethyl)indole-4-carboxylic acid

Systemtic Name: 3-(5-phenylpyridin-3-yl)-1-(1-piperidin-3-ylethyl)indole-4-carboxylic acid Openeye Name: 3-(5-phenyl-3-pyridyl)-1-[1-(3-piperidyl)ethyl]indole-4-carboxylic acid CAS Name: 3-(5-phenyl-3-pyridinyl)-1-[1-(3-piperidinyl)ethyl]-4-indolecarboxylic acid IUPAC Name: 3-(5-phenylpyridin-3-yl)-1-(1-piperidin-3-ylethyl)indole-4-carboxylic acid Traditional Name: 3-(5-phenyl-3-pyridyl)-1-[1-(3-piperidyl)ethyl]indole-4-carboxylic acid Formula: C27H27N3O2 MolecularWeight: 425.52218

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2/c1-18(20-9-6-12-28-14-20)30-17-24(26-23(27(31)32)10-5-11-25(26)30)22-13-21(15-29-16-22)19-7-3-2-4-8-19/h2-5,7-8,10-11,13,15-18,20,28H,6,9,12,14H2,1H3,(H,31,32)