2-azanyl-2-(3-chlorophenyl)carbonyl-4-(cycloheptylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-2-(3-chlorophenyl)carbonyl-4-(cycloheptylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-2-(3-chlorobenzoyl)-4-(cycloheptylamino)-4-oxo-butanoic acid CAS Name: 2-amino-2-[(3-chlorophenyl)-oxomethyl]-4-(cycloheptylamino)-4-oxobutanoic acid IUPAC Name: 2-amino-2-(3-chlorobenzoyl)-4-(cycloheptylamino)-4-oxobutanoic acid Traditional Name: 2-amino-2-(3-chlorobenzoyl)-4-(cycloheptylamino)-4-keto-butyric acid Formula: C18H23ClN2O4 MolecularWeight: 366.83922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CC(C(=O)C2=CC(=CC=C2)Cl)(C(=O)O)N

Isomeric SMILES

C1CCCC(CC1)NC(=O)CC(C(=O)C2=CC(=CC=C2)Cl)(C(=O)O)N

InChI

InChI=1S/C18H23ClN2O4/c19-13-7-5-6-12(10-13)16(23)18(20,17(24)25)11-15(22)21-14-8-3-1-2-4-9-14/h5-7,10,14H,1-4,8-9,11,20H2,(H,21,22)(H,24,25)