[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]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] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-16(2)21(25-23(29)24-19-10-4-3-5-11-19)22(28)30-15-20(27)26-13-12-17-8-6-7-9-18(17)14-26/h3-11,16,21H,12-15H2,1-2H3,(H2,24,25,29)/t21-/m1/s1