5-[(3-methylphenyl)carbonylamino]-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-[(3-methylphenyl)carbonylamino]-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(3-methylbenzoyl)amino]-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-yl]benzoic acid CAS Name: 5-[[(3-methylphenyl)-oxomethyl]amino]-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-[(3-methylbenzoyl)amino]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(2-keto-2-morpholino-ethyl)piperazino]-5-(m-toluoylamino)benzoic acid Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CC(=O)N4CCOCC4)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CC(=O)N4CCOCC4)C(=O)O

InChI

InChI=1S/C25H30N4O5/c1-18-3-2-4-19(15-18)24(31)26-20-5-6-22(21(16-20)25(32)33)28-9-7-27(8-10-28)17-23(30)29-11-13-34-14-12-29/h2-6,15-16H,7-14,17H2,1H3,(H,26,31)(H,32,33)