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

Systemtic Name: methyl 4-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-2-(3-methoxy-3-oxo-propyl)-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-2-(3-methoxy-3-oxopropyl)-5-methyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-2-(3-methoxy-3-oxopropyl)-5-methylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-2-(3-keto-3-methoxy-propyl)-5-methyl-1-piperonyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C26H26N2O7 MolecularWeight: 478.49384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=CC=C(C=C4)C(=O)OC)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=CC=C(C=C4)C(=O)OC)C(=O)N

InChI

InChI=1S/C26H26N2O7/c1-15-23(25(27)30)24(17-5-7-18(8-6-17)26(31)33-3)19(9-11-22(29)32-2)28(15)13-16-4-10-20-21(12-16)35-14-34-20/h4-8,10,12H,9,11,13-14H2,1-3H3,(H2,27,30)