4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]pyridin-2-yl]piperazin-1-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]pyridin-2-yl]piperazin-1-yl]-3-methyl-benzoic acid Openeye Name: 4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]-2-pyridyl]piperazin-1-yl]-3-methyl-benzoic acid CAS Name: 4-[4-[5-[[(1-ethyl-6-indolyl)amino]-oxomethyl]-2-pyridinyl]-1-piperazinyl]-3-methylbenzoic acid IUPAC Name: 4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]pyridin-2-yl]piperazin-1-yl]-3-methylbenzoic acid Traditional Name: 4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]-2-pyridyl]piperazino]-3-methyl-benzoic acid Formula: C28H29N5O3 MolecularWeight: 483.56156

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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=C(C=C(C=C5)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O3/c1-3-31-11-10-20-4-7-23(17-25(20)31)30-27(34)22-6-9-26(29-18-22)33-14-12-32(13-15-33)24-8-5-21(28(35)36)16-19(24)2/h4-11,16-18H,3,12-15H2,1-2H3,(H,30,34)(H,35,36)