ethyl 2-[1-(2-azanylpropanoyl)-3-methoxycarbonyloxy-3-(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)-1,4-dihydroisoquinolin-2-yl]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[1-(2-azanylpropanoyl)-3-methoxycarbonyloxy-3-(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)-1,4-dihydroisoquinolin-2-yl]-4-phenyl-butanoate Openeye Name: ethyl 2-[1-(2-aminopropanoyl)-3-methoxycarbonyloxy-3-(5-methyl-2-oxo-1,3-dioxol-4-yl)-1,4-dihydroisoquinolin-2-yl]-4-phenyl-butanoate CAS Name: 2-[1-(2-amino-1-oxopropyl)-3-methoxycarbonyloxy-3-(5-methyl-2-oxo-1,3-dioxol-4-yl)-1,4-dihydroisoquinolin-2-yl]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-aminopropanoyl)-3-methoxycarbonyloxy-3-(5-methyl-2-oxo-1,3-dioxol-4-yl)-1,4-dihydroisoquinolin-2-yl]-4-phenylbutanoate Traditional Name: 2-[1-alanyl-3-carbomethoxyoxy-3-(2-keto-5-methyl-1,3-dioxol-4-yl)-1,4-dihydroisoquinolin-2-yl]-4-phenyl-butyric acid ethyl ester Formula: C30H34N2O9 MolecularWeight: 566.59896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3CC2(C4=C(OC(=O)O4)C)OC(=O)OC)C(=O)C(C)N

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3CC2(C4=C(OC(=O)O4)C)OC(=O)OC)C(=O)C(C)N

InChI

InChI=1S/C30H34N2O9/c1-5-38-27(34)23(16-15-20-11-7-6-8-12-20)32-24(25(33)18(2)31)22-14-10-9-13-21(22)17-30(32,41-28(35)37-4)26-19(3)39-29(36)40-26/h6-14,18,23-24H,5,15-17,31H2,1-4H3