4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]pyridin-2-yl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]pyridin-2-yl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]-2-pyridyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[5-[[(1-ethyl-6-indolyl)amino]-oxomethyl]-2-pyridinyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]pyridin-2-yl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]-2-pyridyl]piperazino]benzoic acid Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CCN1C=CC2=C1C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H27N5O3/c1-2-30-12-11-19-3-7-22(17-24(19)30)29-26(33)21-6-10-25(28-18-21)32-15-13-31(14-16-32)23-8-4-20(5-9-23)27(34)35/h3-12,17-18H,2,13-16H2,1H3,(H,29,33)(H,34,35)