2-[3-ethoxycarbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3-ethoxycarbonyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-(1-benzyl-3-ethoxycarbonyl-pyrrol-2-yl)acetic acid CAS Name: 2-[3-ethoxycarbonyl-1-(phenylmethyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-(1-benzyl-3-ethoxycarbonylpyrrol-2-yl)acetic acid Traditional Name: 2-(1-benzyl-3-carbethoxy-pyrrol-2-yl)acetic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=C1)CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N(C=C1)CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C16H17NO4/c1-2-21-16(20)13-8-9-17(14(13)10-15(18)19)11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,18,19)