[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C21H23ClN4O5 MolecularWeight: 446.88412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C21H23ClN4O5/c1-30-18-12-17(23)16(22)11-15(18)20(28)31-13-19(27)25-7-9-26(10-8-25)21(29)24-14-5-3-2-4-6-14/h2-6,11-12H,7-10,13,23H2,1H3,(H,24,29)