methyl 3-[[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoate Traditional Name: 3-[[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazino]methyl]benzoic acid methyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C23H29N3O3/c1-3-19-8-4-5-10-21(19)24-22(27)17-26-13-11-25(12-14-26)16-18-7-6-9-20(15-18)23(28)29-2/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,27)