(phenylmethyl) 3-methyl-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 3-methyl-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylate Openeye Name: benzyl 3-methyl-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylate CAS Name: 3-methyl-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylate Traditional Name: 3-methyl-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-2-carboxylic acid benzyl ester Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1CCCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC2=C1CCCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H21NO2/c1-13-15-10-6-3-7-11-16(15)19-17(13)18(20)21-12-14-8-4-2-5-9-14/h2,4-5,8-9,19H,3,6-7,10-12H2,1H3