phenyl 3-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: phenyl 3-[2-(dimethylaminomethyl)-1-oxidanyl-cyclohexyl]-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: phenyl 3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]-2-(6-methoxy-2-naphthyl)propanoate CAS Name: 3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]-2-(6-methoxy-2-naphthalenyl)propanoic acid phenyl ester IUPAC Name: phenyl 3-[2-(dimethylaminomethyl)-1-hydroxycyclohexyl]-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: 3-[2-(dimethylaminomethyl)-1-hydroxy-cyclohexyl]-2-(6-methoxy-2-naphthyl)propionic acid phenyl ester Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1(CC(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)OC4=CC=CC=C4)O

Isomeric SMILES

CN(C)CC1CCCCC1(CC(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)OC4=CC=CC=C4)O

InChI

InChI=1S/C29H35NO4/c1-30(2)20-24-9-7-8-16-29(24,32)19-27(28(31)34-25-10-5-4-6-11-25)23-13-12-22-18-26(33-3)15-14-21(22)17-23/h4-6,10-15,17-18,24,27,32H,7-9,16,19-20H2,1-3H3