methyl (2Z)-4-[1-(4-chlorophenyl)pyrrol-3-yl]-2-(phenylmethoxymethylidene)butanoate

Systemtic Name: methyl (2Z)-4-[1-(4-chlorophenyl)pyrrol-3-yl]-2-(phenylmethoxymethylidene)butanoate Openeye Name: methyl (2Z)-2-(benzyloxymethylene)-4-[1-(4-chlorophenyl)pyrrol-3-yl]butanoate CAS Name: (2Z)-4-[1-(4-chlorophenyl)-3-pyrrolyl]-2-(phenylmethoxymethylidene)butanoic acid methyl ester IUPAC Name: methyl (2Z)-4-[1-(4-chlorophenyl)pyrrol-3-yl]-2-(phenylmethoxymethylidene)butanoate Traditional Name: (Z)-3-benzoxy-2-[2-[1-(4-chlorophenyl)pyrrol-3-yl]ethyl]acrylic acid methyl ester Formula: C23H22ClNO3 MolecularWeight: 395.87868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=COCC1=CC=CC=C1)CCC2=CN(C=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)/C(=C\OCC1=CC=CC=C1)/CCC2=CN(C=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H22ClNO3/c1-27-23(26)20(17-28-16-19-5-3-2-4-6-19)8-7-18-13-14-25(15-18)22-11-9-21(24)10-12-22/h2-6,9-15,17H,7-8,16H2,1H3/b20-17-