1-[2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-butyl-7-methyl-2-oxo-chromen-5-yl)oxyacetyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[2-(4-butyl-2-keto-7-methyl-chromen-5-yl)oxyacetyl]-4-phenyl-isonipecotic acid Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

InChI

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