4-(azepan-1-ylcarbonyl)-5-[(3,4-dichlorophenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-(azepan-1-ylcarbonyl)-5-[(3,4-dichlorophenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-(azepane-1-carbonyl)-5-(3,4-dichloroanilino)-5-oxo-pentanoic acid CAS Name: 4-[1-azepanyl(oxo)methyl]-5-(3,4-dichloroanilino)-5-oxopentanoic acid IUPAC Name: 4-(azepane-1-carbonyl)-5-(3,4-dichloroanilino)-5-oxopentanoic acid Traditional Name: 4-(azepane-1-carbonyl)-5-(3,4-dichloroanilino)-5-keto-valeric acid Formula: C18H22Cl2N2O4 MolecularWeight: 401.28428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CCC(=O)O)C(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CCC(=O)O)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H22Cl2N2O4/c19-14-7-5-12(11-15(14)20)21-17(25)13(6-8-16(23)24)18(26)22-9-3-1-2-4-10-22/h5,7,11,13H,1-4,6,8-10H2,(H,21,25)(H,23,24)