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

Systemtic Name: 3-[1-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-phenyl-pyrrol-2-yl]propanoate Openeye Name: 3-[1-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-5-phenyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-5-phenyl-2-pyrrolyl]propanoate IUPAC Name: 3-[1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-5-phenylpyrrol-2-yl]propanoate Traditional Name: 3-[1-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-5-phenyl-pyrrol-2-yl]propionate Formula: C22H20ClN2O3- MolecularWeight: 395.8588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CN2C(=CC=C2C3=CC=CC=C3)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CN2C(=CC=C2C3=CC=CC=C3)CCC(=O)[O-]

InChI

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