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

Systemtic Name: 3-[[4-[2-(5-chloranyl-1-methyl-indol-2-yl)carbonylpentyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[2-(5-chloro-1-methyl-indole-2-carbonyl)pentyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[2-[(5-chloro-1-methyl-2-indolyl)-oxomethyl]pentyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[2-(5-chloro-1-methylindole-2-carbonyl)pentyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[2-(5-chloro-1-methyl-indole-2-carbonyl)pentyl]benzoyl]amino]propionic acid Formula: C25H27ClN2O4 MolecularWeight: 454.94588

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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(N2C)C=CC(=C3)Cl

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C(=O)NCCC(=O)O)C(=O)C2=CC3=C(N2C)C=CC(=C3)Cl

InChI

InChI=1S/C25H27ClN2O4/c1-3-4-18(24(31)22-15-19-14-20(26)9-10-21(19)28(22)2)13-16-5-7-17(8-6-16)25(32)27-12-11-23(29)30/h5-10,14-15,18H,3-4,11-13H2,1-2H3,(H,27,32)(H,29,30)