4-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C(C#N)C(=O)NCCOC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C(\C#N)/C(=O)NCCOC

InChI

InChI=1S/C20H21N3O4/c1-13-10-16(11-17(12-21)19(24)22-8-9-27-3)14(2)23(13)18-6-4-15(5-7-18)20(25)26/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H,25,26)/b17-11+