4-[[4-[(cyclohexylideneamino)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(cyclohexylideneamino)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(cyclohexylideneamino)carbamoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(2-cyclohexylidenehydrazinyl)-oxomethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(cyclohexylideneamino)carbamoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[(cyclohexylideneamino)carbamoyl]anilino]-4-keto-butyric acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)CC1

Isomeric SMILES

C1CCC(=NNC(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)CC1

InChI

InChI=1S/C17H21N3O4/c21-15(10-11-16(22)23)18-13-8-6-12(7-9-13)17(24)20-19-14-4-2-1-3-5-14/h6-9H,1-5,10-11H2,(H,18,21)(H,20,24)(H,22,23)