methyl 4-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O4/c1-3-17-6-4-5-7-20(17)24-21(27)16-25-12-14-26(15-13-25)22(28)18-8-10-19(11-9-18)23(29)30-2/h4-11H,3,12-16H2,1-2H3,(H,24,27)