4-(4-methoxycarbonylphenyl)-3-(naphthalen-2-ylmethoxy)-5-[(triphenylmethyl)oxymethyl]piperidine-1-carboxylic acid

Systemtic Name: 4-(4-methoxycarbonylphenyl)-3-(naphthalen-2-ylmethoxy)-5-[(triphenylmethyl)oxymethyl]piperidine-1-carboxylic acid Openeye Name: 4-(4-methoxycarbonylphenyl)-3-(2-naphthylmethoxy)-5-(trityloxymethyl)piperidine-1-carboxylic acid CAS Name: 4-(4-methoxycarbonylphenyl)-3-(2-naphthalenylmethoxy)-5-[(triphenylmethyl)oxymethyl]-1-piperidinecarboxylic acid IUPAC Name: 4-(4-methoxycarbonylphenyl)-3-(naphthalen-2-ylmethoxy)-5-(trityloxymethyl)piperidine-1-carboxylic acid Traditional Name: 4-(4-carbomethoxyphenyl)-3-(2-naphthylmethoxy)-5-(trityloxymethyl)piperidine-1-carboxylic acid Formula: C45H41NO6 MolecularWeight: 691.81014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(CN(CC2OCC3=CC4=CC=CC=C4C=C3)C(=O)O)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(CN(CC2OCC3=CC4=CC=CC=C4C=C3)C(=O)O)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C45H41NO6/c1-50-43(47)35-25-23-34(24-26-35)42-37(28-46(44(48)49)29-41(42)51-30-32-21-22-33-13-11-12-14-36(33)27-32)31-52-45(38-15-5-2-6-16-38,39-17-7-3-8-18-39)40-19-9-4-10-20-40/h2-27,37,41-42H,28-31H2,1H3,(H,48,49)