2-chloranyl-5-ethoxy-6-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-inden-1-one

Systemtic Name: 2-chloranyl-5-ethoxy-6-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-inden-1-one Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]-2-chloro-5-ethoxy-6-methoxy-indan-1-one CAS Name: 2-chloro-5-ethoxy-6-methoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-3H-inden-1-one IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-2-chloro-5-ethoxy-6-methoxy-3H-inden-1-one Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]-2-chloro-5-ethoxy-6-methoxy-indan-1-one Formula: C25H30ClNO3 MolecularWeight: 427.9636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)Cl)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C25H30ClNO3/c1-3-30-23-13-20-16-25(26,24(28)21(20)14-22(23)29-2)15-18-9-11-27(12-10-18)17-19-7-5-4-6-8-19/h4-8,13-14,18H,3,9-12,15-17H2,1-2H3