[2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[(4-ethoxy-3-methoxy-benzyl)-ethyl-amino]-2-keto-ethyl] ester Formula: C25H35NO5 MolecularWeight: 429.5491

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H35NO5/c1-4-26(15-17-6-7-21(30-5-2)22(11-17)29-3)23(27)16-31-24(28)25-12-18-8-19(13-25)10-20(9-18)14-25/h6-7,11,18-20H,4-5,8-10,12-16H2,1-3H3