2-[[5-ethoxycarbonyl-4-methyl-1-(phenylmethyl)pyrrol-3-yl]methyl]benzoic acid

Systemtic Name: 2-[[5-ethoxycarbonyl-4-methyl-1-(phenylmethyl)pyrrol-3-yl]methyl]benzoic acid Openeye Name: 2-[(1-benzyl-5-ethoxycarbonyl-4-methyl-pyrrol-3-yl)methyl]benzoic acid CAS Name: 2-[[5-ethoxycarbonyl-4-methyl-1-(phenylmethyl)-3-pyrrolyl]methyl]benzoic acid IUPAC Name: 2-[(1-benzyl-5-ethoxycarbonyl-4-methylpyrrol-3-yl)methyl]benzoic acid Traditional Name: 2-[(1-benzyl-5-carbethoxy-4-methyl-pyrrol-3-yl)methyl]benzoic acid Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)CC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)CC3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C23H23NO4/c1-3-28-23(27)21-16(2)19(13-18-11-7-8-12-20(18)22(25)26)15-24(21)14-17-9-5-4-6-10-17/h4-12,15H,3,13-14H2,1-2H3,(H,25,26)