1-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]isonipecotic acid Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C25H25NO6/c1-16-20-8-7-19(31-15-23(27)26-11-9-18(10-12-26)24(28)29)14-22(20)32-25(30)21(16)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15H2,1H3,(H,28,29)