(4-nitrophenyl) 2-[[isoquinolin-1-ylmethyl(methyl)carbamoyl]amino]-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl) 2-[[isoquinolin-1-ylmethyl(methyl)carbamoyl]amino]-3-methyl-butanoate Openeye Name: (4-nitrophenyl) 2-[[1-isoquinolylmethyl(methyl)carbamoyl]amino]-3-methyl-butanoate CAS Name: 2-[[[1-isoquinolinylmethyl(methyl)amino]-oxomethyl]amino]-3-methylbutanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[[isoquinolin-1-ylmethyl(methyl)carbamoyl]amino]-3-methylbutanoate Traditional Name: 2-[[1-isoquinolylmethyl(methyl)carbamoyl]amino]-3-methyl-butyric acid (4-nitrophenyl) ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(C)CC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(C)CC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C23H24N4O5/c1-15(2)21(22(28)32-18-10-8-17(9-11-18)27(30)31)25-23(29)26(3)14-20-19-7-5-4-6-16(19)12-13-24-20/h4-13,15,21H,14H2,1-3H3,(H,25,29)