2-[3-hexyl-4-methoxycarbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3-hexyl-4-methoxycarbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-(1-benzyl-3-hexyl-4-methoxycarbonyl-pyrrol-2-yl)acetic acid CAS Name: 2-[3-hexyl-4-methoxycarbonyl-1-(phenylmethyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-(1-benzyl-3-hexyl-4-methoxycarbonylpyrrol-2-yl)acetic acid Traditional Name: 2-(1-benzyl-4-carbomethoxy-3-hexyl-pyrrol-2-yl)acetic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C=C1C(=O)OC)CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCCCCCC1=C(N(C=C1C(=O)OC)CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C21H27NO4/c1-3-4-5-9-12-17-18(21(25)26-2)15-22(19(17)13-20(23)24)14-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,23,24)