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

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(4-phenoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-[(4-phenoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenoxyphenyl)methyl]amino]acetic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate Traditional Name: 2-[(4-phenoxybenzoyl)amino]acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O5/c1-19(27(32)29-16-15-20-7-5-6-8-22(20)18-29)33-25(30)17-28-26(31)21-11-13-24(14-12-21)34-23-9-3-2-4-10-23/h2-14,19H,15-18H2,1H3,(H,28,31)