3-[[4-[2-(5-chloranyl-1-quinolin-3-yl-indol-2-yl)carbonylpentyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(5-chloranyl-1-quinolin-3-yl-indol-2-yl)carbonylpentyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[2-[5-chloro-1-(3-quinolyl)indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[2-[[5-chloro-1-(3-quinolinyl)-2-indolyl]-oxomethyl]pentyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[2-(5-chloro-1-quinolin-3-ylindole-2-carbonyl)pentyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[2-[5-chloro-1-(3-quinolyl)indole-2-carbonyl]pentyl]benzoyl]amino]propionic acid Formula: C33H30ClN3O4 MolecularWeight: 568.062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C(=O)C2=CC3=C(N2C4=CC5=CC=CC=C5N=C4)C=CC(=C3)Cl

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C(=O)C2=CC3=C(N2C4=CC5=CC=CC=C5N=C4)C=CC(=C3)Cl

InChI

InChI=1S/C33H30ClN3O4/c1-2-5-24(16-21-8-10-22(11-9-21)33(41)35-15-14-31(38)39)32(40)30-19-25-17-26(34)12-13-29(25)37(30)27-18-23-6-3-4-7-28(23)36-20-27/h3-4,6-13,17-20,24H,2,5,14-16H2,1H3,(H,35,41)(H,38,39)