2-[(5,5-dimethyl-3-oxidanylidene-2-pentanoyl-cyclohexen-1-yl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(5,5-dimethyl-3-oxidanylidene-2-pentanoyl-cyclohexen-1-yl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(5,5-dimethyl-3-oxo-2-pentanoyl-cyclohexen-1-yl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[5,5-dimethyl-3-oxo-2-(1-oxopentyl)-1-cyclohexenyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(5,5-dimethyl-3-oxo-2-pentanoylcyclohexen-1-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-keto-5,5-dimethyl-2-valeryl-cyclohexen-1-yl)amino]-3-phenyl-propionic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(CC(CC1=O)(C)C)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC(=O)C1=C(CC(CC1=O)(C)C)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H29NO4/c1-4-5-11-18(24)20-17(13-22(2,3)14-19(20)25)23-16(21(26)27)12-15-9-7-6-8-10-15/h6-10,16,23H,4-5,11-14H2,1-3H3,(H,26,27)