methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-5-ethanoyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-5-ethanoyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-acetyl-2-[2-(1-adamantylamino)-2-oxo-ethyl]-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-acetyl-2-[2-(1-adamantylamino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2-[2-(1-adamantylamino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-acetyl-2-[2-(1-adamantylamino)-2-keto-ethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)CC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)CC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C

InChI

InChI=1S/C21H28N2O4/c1-11-18(20(26)27-3)16(22-19(11)12(2)24)7-17(25)23-21-8-13-4-14(9-21)6-15(5-13)10-21/h13-15,22H,4-10H2,1-3H3,(H,23,25)