8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-8-[[(2S)-2-ethyl-1-piperidyl]methyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-[[(2S)-2-ethyl-1-piperidinyl]methyl]-7-hydroxy-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-benzyl-8-[[(2S)-2-ethylpiperidino]methyl]-7-hydroxy-4-methyl-coumarin Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)O

Isomeric SMILES

CC[C@H]1CCCCN1CC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H29NO3/c1-3-19-11-7-8-14-26(19)16-22-23(27)13-12-20-17(2)21(25(28)29-24(20)22)15-18-9-5-4-6-10-18/h4-6,9-10,12-13,19,27H,3,7-8,11,14-16H2,1-2H3/t19-/m0/s1