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

Systemtic Name: (phenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)-3-methanoyl-isoquinoline-4-carboxylate Openeye Name: benzyl 1-(2-amino-3-methyl-butanoyl)-3-formyl-isoquinoline-4-carboxylate CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-3-formyl-4-isoquinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-amino-3-methylbutanoyl)-3-formylisoquinoline-4-carboxylate Traditional Name: 1-(2-amino-3-methyl-butanoyl)-3-formyl-isoquinoline-4-carboxylic acid benzyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C=O)N

Isomeric SMILES

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C=O)N

InChI

InChI=1S/C23H22N2O4/c1-14(2)20(24)22(27)21-17-11-7-6-10-16(17)19(18(12-26)25-21)23(28)29-13-15-8-4-3-5-9-15/h3-12,14,20H,13,24H2,1-2H3