methyl 5-[[4-[4-azanyl-2-(ethoxycarbonylamino)-4-oxidanylidene-butanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[4-azanyl-2-(ethoxycarbonylamino)-4-oxidanylidene-butanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[4-amino-2-(ethoxycarbonylamino)-4-oxo-butanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[4-amino-2-(ethoxycarbonylamino)-1,4-dioxobutyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[4-amino-2-(ethoxycarbonylamino)-4-oxobutanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[4-amino-2-(carbethoxyamino)-4-keto-butanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H28N4O7 MolecularWeight: 424.44822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC(=O)N)C(=O)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CCOC(=O)NC(CC(=O)N)C(=O)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C19H28N4O7/c1-3-29-19(27)21-14(11-16(20)24)17(25)23-8-4-7-22(9-10-23)12-13-5-6-15(30-13)18(26)28-2/h5-6,14H,3-4,7-12H2,1-2H3,(H2,20,24)(H,21,27)