ethyl 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanoate

Systemtic Name: ethyl 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanoate Openeye Name: ethyl 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanoate CAS Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]-2-pyrrolyl]dodecanoic acid ethyl ester IUPAC Name: ethyl 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-3H-pyrrol-2-ylidene]pyrrol-2-yl]dodecanoate Traditional Name: 12-[(5E)-5-[1-methyl-3-propoxy-5-(1H-pyrrol-2-yl)-2-pyrrolin-2-ylidene]pyrrol-2-yl]lauric acid ethyl ester Formula: C30H45N3O3 MolecularWeight: 495.6966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C=C(N(C1=C2C=CC(=N2)CCCCCCCCCCCC(=O)OCC)C)C3=CC=CN3

Isomeric SMILES

CCCOC\1C=C(N(/C1=C/2\C=CC(=N2)CCCCCCCCCCCC(=O)OCC)C)C3=CC=CN3

InChI

InChI=1S/C30H45N3O3/c1-4-22-36-28-23-27(25-17-15-21-31-25)33(3)30(28)26-20-19-24(32-26)16-13-11-9-7-6-8-10-12-14-18-29(34)35-5-2/h15,17,19-21,23,28,31H,4-14,16,18,22H2,1-3H3/b30-26+