4-[4-[3-(1,7-diphenylheptan-4-ylamino)phenyl]carbonyl-5-ethyl-1-methyl-pyrrol-2-yl]butanoic acid

Systemtic Name: 4-[4-[3-(1,7-diphenylheptan-4-ylamino)phenyl]carbonyl-5-ethyl-1-methyl-pyrrol-2-yl]butanoic acid Openeye Name: 4-[5-ethyl-1-methyl-4-[3-[[4-phenyl-1-(3-phenylpropyl)butyl]amino]benzoyl]pyrrol-2-yl]butanoic acid CAS Name: 4-[4-[[3-(1,7-diphenylheptan-4-ylamino)phenyl]-oxomethyl]-5-ethyl-1-methyl-2-pyrrolyl]butanoic acid IUPAC Name: 4-[4-[3-(1,7-diphenylheptan-4-ylamino)benzoyl]-5-ethyl-1-methylpyrrol-2-yl]butanoic acid Traditional Name: 4-[5-ethyl-1-methyl-4-[3-[[4-phenyl-1-(3-phenylpropyl)butyl]amino]benzoyl]pyrrol-2-yl]butyric acid Formula: C37H44N2O3 MolecularWeight: 564.75686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(N1C)CCCC(=O)O)C(=O)C2=CC(=CC=C2)NC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=C(N1C)CCCC(=O)O)C(=O)C2=CC(=CC=C2)NC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C37H44N2O3/c1-3-35-34(27-33(39(35)2)24-13-25-36(40)41)37(42)30-20-12-23-32(26-30)38-31(21-10-18-28-14-6-4-7-15-28)22-11-19-29-16-8-5-9-17-29/h4-9,12,14-17,20,23,26-27,31,38H,3,10-11,13,18-19,21-22,24-25H2,1-2H3,(H,40,41)