3-(5-chloranyl-1-ethyl-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 3-(5-chloranyl-1-ethyl-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(5-chloro-1-ethyl-indol-3-yl)butanoic acid CAS Name: 3-(5-chloro-1-ethyl-3-indolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-(5-chloro-1-ethylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(5-chloro-1-ethyl-indol-3-yl)butyric acid Formula: C19H25ClN2O4 MolecularWeight: 380.8658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=CC(=C2)Cl)C(C)C(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCN1C=C(C2=C1C=CC(=C2)Cl)C(C)C(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25ClN2O4/c1-6-22-10-14(13-9-12(20)7-8-15(13)22)11(2)16(17(23)24)21-18(25)26-19(3,4)5/h7-11,16H,6H2,1-5H3,(H,21,25)(H,23,24)