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

Systemtic Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-4-methyl-valerate Formula: C18H25N2O5- MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-11(2)7-14(17(21)22)19-18(23)20-6-5-12-8-15(24-3)16(25-4)9-13(12)10-20/h8-9,11,14H,5-7,10H2,1-4H3,(H,19,23)(H,21,22)/p-1/t14-/m0/s1