methyl 4-(2-azanyl-3-methanoyl-phenyl)-3-[hydroxymethyl(phenylmethoxycarbonyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(2-azanyl-3-methanoyl-phenyl)-3-[hydroxymethyl(phenylmethoxycarbonyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(2-amino-3-formyl-phenyl)-3-[benzyloxycarbonyl(hydroxymethyl)amino]-4-oxo-butanoate CAS Name: 4-(2-amino-3-formylphenyl)-3-[hydroxymethyl(phenylmethoxycarbonyl)amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-formylphenyl)-3-[hydroxymethyl(phenylmethoxycarbonyl)amino]-4-oxobutanoate Traditional Name: 4-(2-amino-3-formyl-phenyl)-3-[carbobenzoxy(methylol)amino]-4-keto-butyric acid methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)C1=CC=CC(=C1N)C=O)N(CO)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(C(=O)C1=CC=CC(=C1N)C=O)N(CO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O7/c1-29-18(26)10-17(20(27)16-9-5-8-15(11-24)19(16)22)23(13-25)21(28)30-12-14-6-3-2-4-7-14/h2-9,11,17,25H,10,12-13,22H2,1H3