methyl (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-methyl-butyric acid methyl ester Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C18H26N2O5/c1-11(2)16(17(21)25-5)19-18(22)20-7-6-12-8-14(23-3)15(24-4)9-13(12)10-20/h8-9,11,16H,6-7,10H2,1-5H3,(H,19,22)/t16-/m0/s1