methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(3-phenoxyphenyl)pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(3-phenoxyphenyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(3-phenoxyphenyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(3-phenoxyphenyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(3-phenoxyphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-3-(3-phenoxyphenyl)-1-piperonyl-pyrrol-2-yl]propionic acid methyl ester Formula: C30H28N2O6 MolecularWeight: 512.55312

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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(=CC=C4)OC5=CC=CC=C5)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C30H28N2O6/c1-19-28(30(31)34)29(21-7-6-10-23(16-21)38-22-8-4-3-5-9-22)24(12-14-27(33)35-2)32(19)17-20-11-13-25-26(15-20)37-18-36-25/h3-11,13,15-16H,12,14,17-18H2,1-2H3,(H2,31,34)