1-[2-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(3-tert-butyl-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-tert-butyl-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[2-(3-tert-butyl-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[2-(3-tert-butyl-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl)acetyl]-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(=COC3=C2C)C(C)(C)C)CC(=O)N4CCC(CC4)(C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CC(=O)N4CCC(CC4)(C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H33NO6/c1-18-21-15-23-24(30(3,4)5)17-37-26(23)19(2)27(21)38-28(34)22(18)16-25(33)32-13-11-31(12-14-32,29(35)36)20-9-7-6-8-10-20/h6-10,15,17H,11-14,16H2,1-5H3,(H,35,36)