ethyl 2-[2-(1-adamantyl)ethyl]-5-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethyl]-5-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-[2-(1-adamantyl)ethyl]-5-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-[2-(1-adamantyl)ethyl]-5-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-adamantyl)ethyl]-5-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 2-[2-(1-adamantyl)ethyl]-5-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H31NO2 MolecularWeight: 377.51914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C2=CC=CC=C2)CCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C2=CC=CC=C2)CCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31NO2/c1-2-28-24(27)21-13-23(20-6-4-3-5-7-20)26-22(21)8-9-25-14-17-10-18(15-25)12-19(11-17)16-25/h3-7,13,17-19,26H,2,8-12,14-16H2,1H3