N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]isochroman-3-carboxamide Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2CC3=CC=CC=C3C(=O)O2)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2CC3=CC=CC=C3C(=O)O2)N4CCCCC4

InChI

InChI=1S/C24H28N2O4/c1-29-19-11-9-17(10-12-19)21(26-13-5-2-6-14-26)16-25-23(27)22-15-18-7-3-4-8-20(18)24(28)30-22/h3-4,7-12,21-22H,2,5-6,13-16H2,1H3,(H,25,27)