3-[1-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-phenyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-phenyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-5-phenyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-phenyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-phenylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]-5-phenyl-pyrrol-2-yl]propionic acid Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CC=C3)CCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CC=C3)CCC(=O)O)Cl

InChI

InChI=1S/C22H21ClN2O3/c1-15-7-8-17(13-19(15)23)24-21(26)14-25-18(10-12-22(27)28)9-11-20(25)16-5-3-2-4-6-16/h2-9,11,13H,10,12,14H2,1H3,(H,24,26)(H,27,28)