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

Systemtic Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 2-[3-methyl-4-(m-tolyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 2-[3-methyl-4-(m-tolyl)piperazino]-5-propionamido-benzoic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCN(C(C2)C)C3=CC=CC(=C3)C)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCN(C(C2)C)C3=CC=CC(=C3)C)C(=O)O

InChI

InChI=1S/C22H27N3O3/c1-4-21(26)23-17-8-9-20(19(13-17)22(27)28)24-10-11-25(16(3)14-24)18-7-5-6-15(2)12-18/h5-9,12-13,16H,4,10-11,14H2,1-3H3,(H,23,26)(H,27,28)