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

Systemtic Name: ethyl 2-[1-(3-azanylpropanoyl)-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenyl-butanoate Openeye Name: ethyl 2-[1-(3-aminopropanoyl)-3-tert-butoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenyl-butanoate CAS Name: 2-[1-(3-amino-1-oxopropyl)-3-[(2-methylpropan-2-yl)oxy-oxomethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-aminopropanoyl)-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenylbutanoate Traditional Name: 2-[1-(3-aminopropanoyl)-3-tert-butoxycarbonyloxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-phenyl-butyric acid ethyl ester Formula: C29H38N2O6 MolecularWeight: 510.62182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O6/c1-5-35-27(33)23(16-15-20-11-7-6-8-12-20)31-25(36-28(34)37-29(2,3)4)19-21-13-9-10-14-22(21)26(31)24(32)17-18-30/h6-14,23,25-26H,5,15-19,30H2,1-4H3