(dioctylamino) 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate

Systemtic Name: (dioctylamino) 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate Openeye Name: (dioctylamino) 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate CAS Name: 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid (dioctylamino) ester IUPAC Name: (dioctylamino) 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate Traditional Name: 2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)acetic acid (dioctylamino) ester Formula: C31H48N2O3 MolecularWeight: 496.72442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)OC(=O)CC1=CC=C(N1C)C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)OC(=O)CC1=CC=C(N1C)C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C31H48N2O3/c1-5-7-9-11-13-15-23-33(24-16-14-12-10-8-6-2)36-30(34)25-28-21-22-29(32(28)4)31(35)27-19-17-26(3)18-20-27/h17-22H,5-16,23-25H2,1-4H3