2-[(3-oxidanylidene-2-pentanoyl-cyclohexen-1-yl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-oxidanylidene-2-pentanoyl-cyclohexen-1-yl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-oxo-2-pentanoyl-cyclohexen-1-yl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-oxo-2-(1-oxopentyl)-1-cyclohexenyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-oxo-2-pentanoylcyclohexen-1-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-keto-2-valeryl-cyclohexen-1-yl)amino]-3-phenyl-propionic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(CCCC1=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC(=O)C1=C(CCCC1=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H25NO4/c1-2-3-11-17(22)19-15(10-7-12-18(19)23)21-16(20(24)25)13-14-8-5-4-6-9-14/h4-6,8-9,16,21H,2-3,7,10-13H2,1H3,(H,24,25)