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

Systemtic Name: 5-[(3-methylphenyl)carbonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid Openeye Name: 5-[(3-methylbenzoyl)amino]-2-[4-(1-piperidyl)-1-piperidyl]benzoic acid CAS Name: 5-[[(3-methylphenyl)-oxomethyl]amino]-2-[4-(1-piperidinyl)-1-piperidinyl]benzoic acid IUPAC Name: 5-[(3-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid Traditional Name: 5-(m-toluoylamino)-2-(4-piperidinopiperidino)benzoic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCCCC4)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCCCC4)C(=O)O

InChI

InChI=1S/C25H31N3O3/c1-18-6-5-7-19(16-18)24(29)26-20-8-9-23(22(17-20)25(30)31)28-14-10-21(11-15-28)27-12-3-2-4-13-27/h5-9,16-17,21H,2-4,10-15H2,1H3,(H,26,29)(H,30,31)