[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic 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] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-16(21(27)25-14-12-17-7-5-6-8-18(17)15-25)29-20(26)11-13-23-22(28)24-19-9-3-2-4-10-19/h2-10,16H,11-15H2,1H3,(H2,23,24,28)