4-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)butanoate

Systemtic Name: 4-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)butanoate Openeye Name: 4-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)butanoate CAS Name: 4-(3-ethoxycarbonyl-2-methyl-5-phenyl-1-pyrrolyl)butanoate IUPAC Name: 4-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)butanoate Traditional Name: 4-(3-carbethoxy-2-methyl-5-phenyl-pyrrol-1-yl)butyrate Formula: C18H20NO4- MolecularWeight: 314.3557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCCC(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCCC(=O)[O-])C

InChI

InChI=1S/C18H21NO4/c1-3-23-18(22)15-12-16(14-8-5-4-6-9-14)19(13(15)2)11-7-10-17(20)21/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,20,21)/p-1