methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-phenyl-propionic acid methyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H22N2O3/c1-25-19(23)18(13-15-7-3-2-4-8-15)21-20(24)22-12-11-16-9-5-6-10-17(16)14-22/h2-10,18H,11-14H2,1H3,(H,21,24)/t18-/m0/s1