1-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[3-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[3-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[3-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)propanoyl]-4-phenyl-isonipecotic acid Formula: C31H33NO6 MolecularWeight: 515.59682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)N4CCC(CC4)(C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)N4CCC(CC4)(C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H33NO6/c1-19-21(28(34)38-26-17-25-23(16-22(19)26)24(18-37-25)30(2,3)4)10-11-27(33)32-14-12-31(13-15-32,29(35)36)20-8-6-5-7-9-20/h5-9,16-18H,10-15H2,1-4H3,(H,35,36)