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

Systemtic Name: methyl 4-ethyl-5-(2-methoxy-2-oxidanylidene-ethyl)-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-benzyl-4-ethyl-5-(2-methoxy-2-oxo-ethyl)pyrrole-3-carboxylate CAS Name: 4-ethyl-5-(2-methoxy-2-oxoethyl)-1-(phenylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-ethyl-5-(2-methoxy-2-oxoethyl)pyrrole-3-carboxylate Traditional Name: 1-benzyl-4-ethyl-5-(2-keto-2-methoxy-ethyl)pyrrole-3-carboxylic acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C=C1C(=O)OC)CC2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

CCC1=C(N(C=C1C(=O)OC)CC2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C18H21NO4/c1-4-14-15(18(21)23-3)12-19(16(14)10-17(20)22-2)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3