ethyl 2-[1-(2-azanylpropanoyl)-3-carboxyoxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[1-(2-azanylpropanoyl)-3-carboxyoxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenyl-butanoate Openeye Name: ethyl 2-[1-(2-aminopropanoyl)-3-carboxyoxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenyl-butanoate CAS Name: 2-[1-(2-amino-1-oxopropyl)-3-carboxyoxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-aminopropanoyl)-3-carboxyoxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenylbutanoate Traditional Name: 2-(1-alanyl-3-carboxyoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-butyric acid ethyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)N2C(CC3=CC=CC=C3C2C(=O)C(C)N)OC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N2C(CC3=CC=CC=C3C2C(=O)C(C)N)OC(=O)O

InChI

InChI=1S/C25H30N2O6/c1-3-32-24(29)20(14-13-17-9-5-4-6-10-17)27-21(33-25(30)31)15-18-11-7-8-12-19(18)22(27)23(28)16(2)26/h4-12,16,20-22H,3,13-15,26H2,1-2H3,(H,30,31)