(phenylmethyl) 3-[4-[2-[(3-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]adamantane-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[4-[2-[(3-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]adamantane-1-carboxylate Openeye Name: benzyl 3-[4-[2-(3-methoxycarbonylanilino)-2-oxo-ethoxy]phenyl]adamantane-1-carboxylate CAS Name: 3-[4-[2-(3-methoxycarbonylanilino)-2-oxoethoxy]phenyl]-1-adamantanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-[2-(3-methoxycarbonylanilino)-2-oxoethoxy]phenyl]adamantane-1-carboxylate Traditional Name: 3-[4-[2-(3-carbomethoxyanilino)-2-keto-ethoxy]phenyl]adamantane-1-carboxylic acid benzyl ester Formula: C34H35NO6 MolecularWeight: 553.6448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C34H35NO6/c1-39-31(37)26-8-5-9-28(15-26)35-30(36)21-40-29-12-10-27(11-13-29)33-16-24-14-25(17-33)19-34(18-24,22-33)32(38)41-20-23-6-3-2-4-7-23/h2-13,15,24-25H,14,16-22H2,1H3,(H,35,36)