ethyl 4-[5-ethyl-4-[3-(2-hexyloctylamino)phenyl]carbonyl-1-methyl-pyrrol-2-yl]butanoate

Systemtic Name: ethyl 4-[5-ethyl-4-[3-(2-hexyloctylamino)phenyl]carbonyl-1-methyl-pyrrol-2-yl]butanoate Openeye Name: ethyl 4-[5-ethyl-4-[3-(2-hexyloctylamino)benzoyl]-1-methyl-pyrrol-2-yl]butanoate CAS Name: 4-[5-ethyl-4-[[3-(2-hexyloctylamino)phenyl]-oxomethyl]-1-methyl-2-pyrrolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-ethyl-4-[3-(2-hexyloctylamino)benzoyl]-1-methylpyrrol-2-yl]butanoate Traditional Name: 4-[5-ethyl-4-[3-(2-hexyloctylamino)benzoyl]-1-methyl-pyrrol-2-yl]butyric acid ethyl ester Formula: C34H54N2O3 MolecularWeight: 538.80416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)CNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)OCC)C)CC

Isomeric SMILES

CCCCCCC(CCCCCC)CNC1=CC=CC(=C1)C(=O)C2=C(N(C(=C2)CCCC(=O)OCC)C)CC

InChI

InChI=1S/C34H54N2O3/c1-6-10-12-14-18-27(19-15-13-11-7-2)26-35-29-21-16-20-28(24-29)34(38)31-25-30(36(5)32(31)8-3)22-17-23-33(37)39-9-4/h16,20-21,24-25,27,35H,6-15,17-19,22-23,26H2,1-5H3