[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C5=CC=CC=C5)C

InChI

InChI=1S/C26H29N3O4/c1-16-17(2)29(20-6-4-3-5-7-20)23(21(16)13-27)28-22(30)14-33-24(31)25-9-18-8-19(10-25)12-26(32,11-18)15-25/h3-7,18-19,32H,8-12,14-15H2,1-2H3,(H,28,30)/t18-,19+,25?,26?