[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[(4-ethoxybenzoyl)amino]acetate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic 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-[(4-ethoxybenzoyl)amino]acetate Traditional Name: 2-[(4-ethoxybenzoyl)amino]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H24N2O5/c1-2-28-19-9-7-17(8-10-19)22(27)23-13-21(26)29-15-20(25)24-12-11-16-5-3-4-6-18(16)14-24/h3-10H,2,11-15H2,1H3,(H,23,27)