4-[[4-[4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]piperazin-1-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[4-[4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]piperazin-1-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[4-[4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]piperazine-1-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[4-[4-[[(2-methoxy-5-methylanilino)-oxomethyl]amino]phenyl]-1-piperazinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]piperazine-1-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[4-[4-[(2-methoxy-5-methyl-phenyl)carbamoylamino]phenyl]piperazine-1-carbonyl]amino]-3-methyl-benzoic acid Formula: C28H31N5O5 MolecularWeight: 517.57624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)O)C

InChI

InChI=1S/C28H31N5O5/c1-18-4-11-25(38-3)24(16-18)30-27(36)29-21-6-8-22(9-7-21)32-12-14-33(15-13-32)28(37)31-23-10-5-20(26(34)35)17-19(23)2/h4-11,16-17H,12-15H2,1-3H3,(H,31,37)(H,34,35)(H2,29,30,36)