[2-[1-(4-methylphenyl)propylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-[1-(4-methylphenyl)propylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-oxo-2-[1-(p-tolyl)propylamino]ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-[1-(4-methylphenyl)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methylphenyl)propylamino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-keto-2-[1-(p-tolyl)propylamino]ethyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)OCCC(C)C)OC

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)OCCC(C)C)OC

InChI

InChI=1S/C25H33NO5/c1-6-21(19-9-7-18(4)8-10-19)26-24(27)16-31-25(28)20-11-12-22(23(15-20)29-5)30-14-13-17(2)3/h7-12,15,17,21H,6,13-14,16H2,1-5H3,(H,26,27)