ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate Openeye Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate CAS Name: 3-[[anilino(oxo)methyl]amino]-4-[4-(4-fluorophenyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(phenylcarbamoylamino)benzoate Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-3-(phenylcarbamoylamino)benzoic acid ethyl ester Formula: C26H27FN4O3 MolecularWeight: 462.515983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27FN4O3/c1-2-34-25(32)19-8-13-24(23(18-19)29-26(33)28-21-6-4-3-5-7-21)31-16-14-30(15-17-31)22-11-9-20(27)10-12-22/h3-13,18H,2,14-17H2,1H3,(H2,28,29,33)