ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)carbamoylamino]benzoate Openeye Name: ethyl 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)carbamoylamino]benzoate CAS Name: 4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-[[(3-methoxyanilino)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)carbamoylamino]benzoate Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-[(3-methoxyphenyl)carbamoylamino]benzoic acid ethyl ester Formula: C28H31ClN4O4 MolecularWeight: 523.02314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)NC(=O)NC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)Cl)C)NC(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C28H31ClN4O4/c1-4-37-27(34)20-9-11-25(24(16-20)31-28(35)30-22-6-5-7-23(18-22)36-3)32-12-14-33(15-13-32)26-17-21(29)10-8-19(26)2/h5-11,16-18H,4,12-15H2,1-3H3,(H2,30,31,35)