[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(N1[C@@H](C)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C22H22N2O3/c1-15-13-20(17(3)24(15)16(2)18-7-5-4-6-8-18)21(25)14-27-22(26)19-9-11-23-12-10-19/h4-13,16H,14H2,1-3H3/t16-/m0/s1