methyl 4-[4-aminocarbonyl-2-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1-phenethyl-pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-2-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1-phenethyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-2-(3-methoxy-3-oxo-propyl)-5-methyl-1-phenethyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-2-(3-methoxy-3-oxopropyl)-5-methyl-1-phenethyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-2-(3-methoxy-3-oxopropyl)-5-methyl-1-phenethylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-2-(3-keto-3-methoxy-propyl)-5-methyl-1-phenethyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=O)OC)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=O)OC)C(=O)N

InChI

InChI=1S/C26H28N2O5/c1-17-23(25(27)30)24(19-9-11-20(12-10-19)26(31)33-3)21(13-14-22(29)32-2)28(17)16-15-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3,(H2,27,30)