phenethyl 4-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-[1-azepanyl(oxo)methyl]anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(azepane-1-carbonyl)anilino]-4-keto-butyric acid phenethyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O4/c28-23(14-15-24(29)31-19-16-20-8-4-3-5-9-20)26-22-12-10-21(11-13-22)25(30)27-17-6-1-2-7-18-27/h3-5,8-13H,1-2,6-7,14-19H2,(H,26,28)