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

Systemtic Name: 2-[(3-oxidanylidene-2-pentanoyl-5-phenyl-cyclohexen-1-yl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-oxo-2-pentanoyl-5-phenyl-cyclohexen-1-yl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-oxo-2-(1-oxopentyl)-5-phenyl-1-cyclohexenyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-oxo-2-pentanoyl-5-phenylcyclohexen-1-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-keto-5-phenyl-2-valeryl-cyclohexen-1-yl)amino]-3-phenyl-propionic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H29NO4/c1-2-3-14-23(28)25-21(16-20(17-24(25)29)19-12-8-5-9-13-19)27-22(26(30)31)15-18-10-6-4-7-11-18/h4-13,20,22,27H,2-3,14-17H2,1H3,(H,30,31)