[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C25H30N2O6/c1-16(2)23(26-24(29)19-11-20(31-3)13-21(12-19)32-4)25(30)33-15-22(28)27-10-9-17-7-5-6-8-18(17)14-27/h5-8,11-13,16,23H,9-10,14-15H2,1-4H3,(H,26,29)