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

Systemtic Name: 3-chloranyl-4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]pyridin-2-yl]piperazin-1-yl]benzoic acid Openeye Name: 3-chloro-4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]-2-pyridyl]piperazin-1-yl]benzoic acid CAS Name: 3-chloro-4-[4-[5-[[(1-ethyl-6-indolyl)amino]-oxomethyl]-2-pyridinyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-chloro-4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]pyridin-2-yl]piperazin-1-yl]benzoic acid Traditional Name: 3-chloro-4-[4-[5-[(1-ethylindol-6-yl)carbamoyl]-2-pyridyl]piperazino]benzoic acid Formula: C27H26ClN5O3 MolecularWeight: 503.98004

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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)Cl

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)Cl

InChI

InChI=1S/C27H26ClN5O3/c1-2-31-10-9-18-3-6-21(16-24(18)31)30-26(34)20-5-8-25(29-17-20)33-13-11-32(12-14-33)23-7-4-19(27(35)36)15-22(23)28/h3-10,15-17H,2,11-14H2,1H3,(H,30,34)(H,35,36)