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

Systemtic Name: ethyl 12-[3-ethoxy-5-[(5E)-1-methyl-5-pyrrol-2-ylidene-2H-pyrrol-3-yl]-1H-pyrrol-2-yl]dodecanoate Openeye Name: ethyl 12-[3-ethoxy-5-[(5E)-1-methyl-5-pyrrol-2-ylidene-2H-pyrrol-3-yl]-1H-pyrrol-2-yl]dodecanoate CAS Name: 12-[3-ethoxy-5-[(5E)-1-methyl-5-(2-pyrrolylidene)-2H-pyrrol-3-yl]-1H-pyrrol-2-yl]dodecanoic acid ethyl ester IUPAC Name: ethyl 12-[3-ethoxy-5-[(5E)-1-methyl-5-pyrrol-2-ylidene-2H-pyrrol-3-yl]-1H-pyrrol-2-yl]dodecanoate Traditional Name: 12-[3-ethoxy-5-[(5E)-1-methyl-5-pyrrol-2-ylidene-3-pyrrolin-3-yl]-1H-pyrrol-2-yl]lauric acid ethyl ester Formula: C29H43N3O3 MolecularWeight: 481.67002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(NC(=C1)C2=CC(=C3C=CC=N3)N(C2)C)CCCCCCCCCCCC(=O)OCC

Isomeric SMILES

CCOC1=C(NC(=C1)C2=C/C(=C\3/C=CC=N3)/N(C2)C)CCCCCCCCCCCC(=O)OCC

InChI

InChI=1S/C29H43N3O3/c1-4-34-28-21-26(23-20-27(32(3)22-23)24-17-15-19-30-24)31-25(28)16-13-11-9-7-6-8-10-12-14-18-29(33)35-5-2/h15,17,19-21,31H,4-14,16,18,22H2,1-3H3/b27-24+