(phenylmethyl) 4-(3-acetyloxypropyl)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-acetyloxypropyl)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(3-acetoxypropyl)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-(3-acetyloxypropyl)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-acetyloxypropyl)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-acetoxypropyl)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CNC(=C1CC)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)CCCOC(=O)C

Isomeric SMILES

CCC1=CNC(=C1CC)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)CCCOC(=O)C

InChI

InChI=1S/C27H34N2O4/c1-5-21-16-28-24(22(21)6-2)15-25-23(13-10-14-32-19(4)30)18(3)26(29-25)27(31)33-17-20-11-8-7-9-12-20/h7-9,11-12,16,28-29H,5-6,10,13-15,17H2,1-4H3