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

Systemtic Name: 3-[[4-[2-(5-chloranyl-1-methyl-indol-2-yl)carbonylheptyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[2-(5-chloro-1-methyl-indole-2-carbonyl)heptyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[2-[(5-chloro-1-methyl-2-indolyl)-oxomethyl]heptyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[2-(5-chloro-1-methylindole-2-carbonyl)heptyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[2-(5-chloro-1-methyl-indole-2-carbonyl)heptyl]benzoyl]amino]propionic acid Formula: C27H31ClN2O4 MolecularWeight: 482.99904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN2O4/c1-3-4-5-6-20(26(33)24-17-21-16-22(28)11-12-23(21)30(24)2)15-18-7-9-19(10-8-18)27(34)29-14-13-25(31)32/h7-12,16-17,20H,3-6,13-15H2,1-2H3,(H,29,34)(H,31,32)