[2-[bis(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[bis(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-[bis(4-methoxyphenyl)methylamino]-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-[bis(4-methoxyphenyl)methylamino]-2-keto-ethyl] ester Formula: C28H32ClNO5 MolecularWeight: 498.01038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C28H32ClNO5/c1-33-22-7-3-20(4-8-22)25(21-5-9-23(34-2)10-6-21)30-24(31)16-35-26(32)27-12-18-11-19(13-27)15-28(29,14-18)17-27/h3-10,18-19,25H,11-17H2,1-2H3,(H,30,31)