2-azanyl-2-(3-chlorophenyl)carbonyl-5-(hexylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-2-(3-chlorophenyl)carbonyl-5-(hexylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-2-(3-chlorobenzoyl)-5-(hexylamino)-5-oxo-pentanoic acid CAS Name: 2-amino-2-[(3-chlorophenyl)-oxomethyl]-5-(hexylamino)-5-oxopentanoic acid IUPAC Name: 2-amino-2-(3-chlorobenzoyl)-5-(hexylamino)-5-oxopentanoic acid Traditional Name: 2-amino-2-(3-chlorobenzoyl)-5-(hexylamino)-5-keto-valeric acid Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCC(C(=O)C1=CC(=CC=C1)Cl)(C(=O)O)N

Isomeric SMILES

CCCCCCNC(=O)CCC(C(=O)C1=CC(=CC=C1)Cl)(C(=O)O)N

InChI

InChI=1S/C18H25ClN2O4/c1-2-3-4-5-11-21-15(22)9-10-18(20,17(24)25)16(23)13-7-6-8-14(19)12-13/h6-8,12H,2-5,9-11,20H2,1H3,(H,21,22)(H,24,25)