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

Systemtic Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-3-phenyl-propionate Formula: C21H23N2O5- MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-])OC

InChI

InChI=1S/C21H24N2O5/c1-27-18-11-15-8-9-23(13-16(15)12-19(18)28-2)21(26)22-17(20(24)25)10-14-6-4-3-5-7-14/h3-7,11-12,17H,8-10,13H2,1-2H3,(H,22,26)(H,24,25)/p-1/t17-/m0/s1