(phenylmethyl) 5-(azulen-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-(azulen-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-(azulen-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-(1-azulenylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(azulen-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(azulen-1-ylmethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C26H25NO2 MolecularWeight: 383.4822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=C4C=CC=CC=C4C=C3

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)CC3=C4C=CC=CC=C4C=C3

InChI

InChI=1S/C26H25NO2/c1-3-22-18(2)25(26(28)29-17-19-10-6-4-7-11-19)27-24(22)16-21-15-14-20-12-8-5-9-13-23(20)21/h4-15,27H,3,16-17H2,1-2H3