(phenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)-3-methanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)-3-methanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 1-(2-amino-3-methyl-butanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-amino-3-methylbutanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-amino-3-methyl-butanoyl)-3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)OCC3=CC=CC=C3)C=O)N

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)OCC3=CC=CC=C3)C=O)N

InChI

InChI=1S/C23H26N2O4/c1-15(2)20(24)22(27)21-19-11-7-6-10-17(19)12-18(13-26)25(21)23(28)29-14-16-8-4-3-5-9-16/h3-11,13,15,18,20-21H,12,14,24H2,1-2H3