5-[(3-methylphenyl)carbonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]benzoic acid

Systemtic Name: 5-[(3-methylphenyl)carbonylamino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]benzoic acid Openeye Name: 5-[(3-methylbenzoyl)amino]-2-[4-(2-morpholinoethyl)-1-piperidyl]benzoic acid CAS Name: 5-[[(3-methylphenyl)-oxomethyl]amino]-2-[4-[2-(4-morpholinyl)ethyl]-1-piperidinyl]benzoic acid IUPAC Name: 5-[(3-methylbenzoyl)amino]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]benzoic acid Traditional Name: 2-[4-(2-morpholinoethyl)piperidino]-5-(m-toluoylamino)benzoic acid Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)CCN4CCOCC4)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)CCN4CCOCC4)C(=O)O

InChI

InChI=1S/C26H33N3O4/c1-19-3-2-4-21(17-19)25(30)27-22-5-6-24(23(18-22)26(31)32)29-11-8-20(9-12-29)7-10-28-13-15-33-16-14-28/h2-6,17-18,20H,7-16H2,1H3,(H,27,30)(H,31,32)