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

Systemtic Name: 3-[[4-[3-(5-chloranyl-1-methyl-indol-2-yl)-2-methyl-3-oxidanylidene-propyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[3-(5-chloro-1-methyl-indol-2-yl)-2-methyl-3-oxo-propyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[3-(5-chloro-1-methyl-2-indolyl)-2-methyl-3-oxopropyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[3-(5-chloro-1-methylindol-2-yl)-2-methyl-3-oxopropyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[3-(5-chloro-1-methyl-indol-2-yl)-3-keto-2-methyl-propyl]benzoyl]amino]propionic acid Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O4/c1-14(22(29)20-13-17-12-18(24)7-8-19(17)26(20)2)11-15-3-5-16(6-4-15)23(30)25-10-9-21(27)28/h3-8,12-14H,9-11H2,1-2H3,(H,25,30)(H,27,28)