5-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenyl-amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl-phenyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]anilino]-5-oxo-pentanoic acid CAS Name: 5-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]anilino]-5-oxopentanoic acid IUPAC Name: 5-[N-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]anilino]-5-oxopentanoic acid Traditional Name: 5-[N-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]anilino]-5-keto-valeric acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=CC=C2)C(=O)CCCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=CC=C2)C(=O)CCCC(=O)O)C

InChI

InChI=1S/C21H26N2O5/c1-4-28-21(27)20-14(2)17(15(3)22-20)13-23(16-9-6-5-7-10-16)18(24)11-8-12-19(25)26/h5-7,9-10,22H,4,8,11-13H2,1-3H3,(H,25,26)