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

Systemtic Name: 1-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxyacetyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxyacetyl]-4-phenyl-isonipecotic acid Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H29NO6/c1-3-7-19-16-24(30)34-25-18(2)22(11-10-21(19)25)33-17-23(29)28-14-12-27(13-15-28,26(31)32)20-8-5-4-6-9-20/h4-6,8-11,16H,3,7,12-15,17H2,1-2H3,(H,31,32)