(phenylmethyl) 2-[(2S)-2-azanyl-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate hydrochloride

Systemtic Name: (phenylmethyl) 2-[(2S)-2-azanyl-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate hydrochloride Openeye Name: benzyl 2-[(2S)-2-amino-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate hydrochloride CAS Name: 2-[(2S)-2-amino-3-methyl-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 2-[(2S)-2-amino-3-methylbutanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate hydrochloride Traditional Name: 2-[(2S)-2-amino-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid benzyl ester hydrochloride Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=CC=C3)N.Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C22H26N2O3.ClH/c1-15(2)20(23)21(25)24-13-18-11-7-6-10-17(18)12-19(24)22(26)27-14-16-8-4-3-5-9-16;/h3-11,15,19-20H,12-14,23H2,1-2H3;1H/t19?,20-;/m0./s1