[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C24H31NO7 MolecularWeight: 445.50544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C24H31NO7/c1-16(2)10-11-31-20-9-7-18(13-22(20)30-5)24(27)32-15-23(26)25-14-17-6-8-19(28-3)21(12-17)29-4/h6-9,12-13,16H,10-11,14-15H2,1-5H3,(H,25,26)