1-[2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxyethanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl)oxyacetyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[2-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl]oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[2-(3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl)oxyacetyl]-4-phenyl-isonipecotic acid Formula: C32H31NO6 MolecularWeight: 525.59164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)N4CCC(CC4)(C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)N4CCC(CC4)(C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H31NO6/c1-21-17-26(29-22(2)25(30(35)39-27(29)18-21)19-23-9-5-3-6-10-23)38-20-28(34)33-15-13-32(14-16-33,31(36)37)24-11-7-4-8-12-24/h3-12,17-18H,13-16,19-20H2,1-2H3,(H,36,37)