2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-methoxyphenyl)carbonylamino]benzoic acid

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-methoxyphenyl)carbonylamino]benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-[[(4-methoxyphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-(p-anisoylamino)benzoic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O

InChI

InChI=1S/C22H24N4O4/c1-30-18-6-3-16(4-7-18)21(27)24-17-5-8-20(19(15-17)22(28)29)26-13-11-25(12-14-26)10-2-9-23/h3-8,15H,2,10-14H2,1H3,(H,24,27)(H,28,29)