methyl 4-hexyl-5-(2-methoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-hexyl-5-(2-methoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-benzyl-4-hexyl-5-(2-methoxy-2-oxo-ethyl)pyrrole-3-carboxylate CAS Name: 4-hexyl-5-(2-methoxy-2-oxoethyl)-1-(phenylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-hexyl-5-(2-methoxy-2-oxoethyl)pyrrole-3-carboxylate Traditional Name: 1-benzyl-4-hexyl-5-(2-keto-2-methoxy-ethyl)pyrrole-3-carboxylic acid methyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C=C1C(=O)OC)CC2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

CCCCCCC1=C(N(C=C1C(=O)OC)CC2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C22H29NO4/c1-4-5-6-10-13-18-19(22(25)27-3)16-23(20(18)14-21(24)26-2)15-17-11-8-7-9-12-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3