methyl 4-[(2-chlorophenyl)amino]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2-chlorophenyl)amino]-3-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(2-chloroanilino)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-(2-chloroanilino)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-chloroanilino)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-(2-chloroanilino)-4-keto-3-[4-(4-methoxyphenyl)piperazino]butyric acid methyl ester Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(CC(=O)OC)C(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(CC(=O)OC)C(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O4/c1-29-17-9-7-16(8-10-17)25-11-13-26(14-12-25)20(15-21(27)30-2)22(28)24-19-6-4-3-5-18(19)23/h3-10,20H,11-15H2,1-2H3,(H,24,28)