5-[3-[4-(4-chlorophenyl)piperazin-1-yl]propylcarbamoylamino]-2-methoxy-benzoic acid

Systemtic Name: 5-[3-[4-(4-chlorophenyl)piperazin-1-yl]propylcarbamoylamino]-2-methoxy-benzoic acid Openeye Name: 5-[3-[4-(4-chlorophenyl)piperazin-1-yl]propylcarbamoylamino]-2-methoxy-benzoic acid CAS Name: 5-[[[3-[4-(4-chlorophenyl)-1-piperazinyl]propylamino]-oxomethyl]amino]-2-methoxybenzoic acid IUPAC Name: 5-[3-[4-(4-chlorophenyl)piperazin-1-yl]propylcarbamoylamino]-2-methoxybenzoic acid Traditional Name: 5-[3-[4-(4-chlorophenyl)piperazino]propylcarbamoylamino]-2-methoxy-benzoic acid Formula: C22H27ClN4O4 MolecularWeight: 446.92718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H27ClN4O4/c1-31-20-8-5-17(15-19(20)21(28)29)25-22(30)24-9-2-10-26-11-13-27(14-12-26)18-6-3-16(23)4-7-18/h3-8,15H,2,9-14H2,1H3,(H,28,29)(H2,24,25,30)