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

Systemtic Name: methyl 5-[[4-[4-oxidanylidene-4-(1-phenylethylamino)butanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[4-oxo-4-(1-phenylethylamino)butanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[1,4-dioxo-4-(1-phenylethylamino)butyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[4-oxo-4-(1-phenylethylamino)butanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[4-keto-4-(1-phenylethylamino)butanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCC(=O)N2CCCN(CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C24H31N3O5/c1-18(19-7-4-3-5-8-19)25-22(28)11-12-23(29)27-14-6-13-26(15-16-27)17-20-9-10-21(32-20)24(30)31-2/h3-5,7-10,18H,6,11-17H2,1-2H3,(H,25,28)