ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)carbamoylamino]benzoate Openeye Name: ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)carbamoylamino]benzoate CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-3-[[(3-methoxyanilino)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)carbamoylamino]benzoate Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-3-[(3-methoxyphenyl)carbamoylamino]benzoic acid ethyl ester Formula: C27H29FN4O4 MolecularWeight: 492.541963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3F)NC(=O)NC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3F)NC(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C27H29FN4O4/c1-3-36-26(33)19-11-12-25(32-15-13-31(14-16-32)24-10-5-4-9-22(24)28)23(17-19)30-27(34)29-20-7-6-8-21(18-20)35-2/h4-12,17-18H,3,13-16H2,1-2H3,(H2,29,30,34)