ethyl 4-[3-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]-2,5-diphenyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]-2,5-diphenyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(E)-2-cyano-3-(2-naphthylamino)-3-oxo-prop-1-enyl]-2,5-diphenyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-3-(2-naphthalenylamino)-3-oxoprop-1-enyl]-2,5-diphenyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]-2,5-diphenylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-cyano-3-keto-3-(2-naphthylamino)prop-1-enyl]-2,5-diphenyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C39H29N3O3 MolecularWeight: 587.66586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)C=C(C#N)C(=O)NC4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CC=C3)/C=C(\C#N)/C(=O)NC4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C39H29N3O3/c1-2-45-39(44)30-18-21-35(22-19-30)42-36(28-12-5-3-6-13-28)25-32(37(42)29-14-7-4-8-15-29)23-33(26-40)38(43)41-34-20-17-27-11-9-10-16-31(27)24-34/h3-25H,2H2,1H3,(H,41,43)/b33-23+