[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H25NO3/c1-4-19-10-12-21(13-11-19)24(27)28-16-23(26)22-14-17(2)25(18(22)3)15-20-8-6-5-7-9-20/h5-14H,4,15-16H2,1-3H3