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

Systemtic Name: [2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-1-propanoyl-piperidin-4-yl] propanoate Openeye Name: [2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-1-propanoyl-4-piperidyl] propanoate CAS Name: propanoic acid [2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-(1-oxopropyl)-4-piperidinyl] ester IUPAC Name: [2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-propanoylpiperidin-4-yl] propanoate Traditional Name: propionic acid [2-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-1-propionyl-4-piperidyl] ester Formula: C33H47NO4 MolecularWeight: 521.73058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47NO4/c1-6-9-10-14-20-33(4,5)26-17-18-28(30(22-26)37-24-25-15-12-11-13-16-25)29-23-27(38-32(36)8-3)19-21-34(29)31(35)7-2/h11-13,15-18,22,27,29H,6-10,14,19-21,23-24H2,1-5H3