1-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxyacetyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxyacetyl]-4-phenyl-isonipecotic acid Formula: C28H31NO6 MolecularWeight: 477.54884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H31NO6/c1-3-4-8-20-17-25(31)35-26-19(2)23(12-11-22(20)26)34-18-24(30)29-15-13-28(14-16-29,27(32)33)21-9-6-5-7-10-21/h5-7,9-12,17H,3-4,8,13-16,18H2,1-2H3,(H,32,33)