3-[5-(3-methoxyphenyl)pyridin-3-yl]-1-[3-(4-methylpiperazin-1-yl)propyl]indole-4-carboxylic acid

Systemtic Name: 3-[5-(3-methoxyphenyl)pyridin-3-yl]-1-[3-(4-methylpiperazin-1-yl)propyl]indole-4-carboxylic acid Openeye Name: 3-[5-(3-methoxyphenyl)-3-pyridyl]-1-[3-(4-methylpiperazin-1-yl)propyl]indole-4-carboxylic acid CAS Name: 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-[3-(4-methyl-1-piperazinyl)propyl]-4-indolecarboxylic acid IUPAC Name: 3-[5-(3-methoxyphenyl)pyridin-3-yl]-1-[3-(4-methylpiperazin-1-yl)propyl]indole-4-carboxylic acid Traditional Name: 3-[5-(3-methoxyphenyl)-3-pyridyl]-1-[3-(4-methylpiperazino)propyl]indole-4-carboxylic acid Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

CN1CCN(CC1)CCCN2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C29H32N4O3/c1-31-12-14-32(15-13-31)10-5-11-33-20-26(28-25(29(34)35)8-4-9-27(28)33)23-16-22(18-30-19-23)21-6-3-7-24(17-21)36-2/h3-4,6-9,16-20H,5,10-15H2,1-2H3,(H,34,35)