1-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-1-propanoyl-piperidin-4-yl]propan-1-one

Systemtic Name: 1-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-1-propanoyl-piperidin-4-yl]propan-1-one Openeye Name: 1-[2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-1-propanoyl-4-piperidyl]propan-1-one CAS Name: 1-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-(1-oxopropyl)-4-piperidinyl]-1-propanone IUPAC Name: 1-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-propanoylpiperidin-4-yl]propan-1-one Traditional Name: 1-[2-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-1-propionyl-4-piperidyl]propan-1-one Formula: C33H47NO3 MolecularWeight: 505.73118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2C(=O)CC)C(=O)CC)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2C(=O)CC)C(=O)CC)OCC3=CC=CC=C3

InChI

InChI=1S/C33H47NO3/c1-6-9-10-14-20-33(4,5)27-17-18-28(31(23-27)37-24-25-15-12-11-13-16-25)29-22-26(30(35)7-2)19-21-34(29)32(36)8-3/h11-13,15-18,23,26,29H,6-10,14,19-22,24H2,1-5H3