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

Systemtic Name: 1-[2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxyacetyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[2-[(7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[2-(2-keto-7-methyl-4-propyl-chromen-5-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(=C2)C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O

InChI

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