[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-(dimethylamino)benzoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 3-(dimethylamino)benzoate CAS Name: 3-(dimethylamino)benzoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 3-(dimethylamino)benzoate Traditional Name: 3-(dimethylamino)benzoic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)N(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)N(C)C

InChI

InChI=1S/C21H26N2O3/c1-4-5-7-16-10-12-18(13-11-16)22-20(24)15-26-21(25)17-8-6-9-19(14-17)23(2)3/h6,8-14H,4-5,7,15H2,1-3H3,(H,22,24)