5-[(4-methoxyphenyl)carbonylamino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-[(4-methoxyphenyl)carbonylamino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(4-methoxybenzoyl)amino]-2-[3-methyl-4-(m-tolyl)piperazin-1-yl]benzoic acid CAS Name: 5-[[(4-methoxyphenyl)-oxomethyl]amino]-2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-methoxybenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[3-methyl-4-(m-tolyl)piperazino]-5-(p-anisoylamino)benzoic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C27H29N3O4/c1-18-5-4-6-22(15-18)30-14-13-29(17-19(30)2)25-12-9-21(16-24(25)27(32)33)28-26(31)20-7-10-23(34-3)11-8-20/h4-12,15-16,19H,13-14,17H2,1-3H3,(H,28,31)(H,32,33)