[4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3-methoxybenzoate

Systemtic Name: [4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3-methoxybenzoate Openeye Name: [4-[(3R,4R)-3-(2-naphthylmethoxy)-4-piperidyl]phenyl]methyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-[(3R,4R)-3-(2-naphthalenylmethoxy)-4-piperidinyl]phenyl]methyl ester IUPAC Name: [4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-[(3R,4R)-3-(2-naphthylmethoxy)-4-piperidyl]benzyl] ester Formula: C31H31NO4 MolecularWeight: 481.58214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)C3CCNCC3OCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)[C@H]3CCNC[C@@H]3OCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H31NO4/c1-34-28-8-4-7-27(18-28)31(33)36-20-22-9-13-25(14-10-22)29-15-16-32-19-30(29)35-21-23-11-12-24-5-2-3-6-26(24)17-23/h2-14,17-18,29-30,32H,15-16,19-21H2,1H3/t29-,30+/m1/s1