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

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 2,4-dimethylbenzoate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic 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:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NCCCN(C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NCCCN(C)C2=CC=CC=C2)C

InChI

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