[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCCCN(C)C2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NCCCN(C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-3-17-10-12-18(13-11-17)21(25)26-16-20(24)22-14-7-15-23(2)19-8-5-4-6-9-19/h4-6,8-13H,3,7,14-16H2,1-2H3,(H,22,24)