1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]indole-2-carboxylic acid Openeye Name: 3-[3-(tert-butoxycarbonylamino)propylamino]-1-methyl-indole-2-carboxylic acid CAS Name: 1-methyl-3-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propylamino]-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]indole-2-carboxylic acid Traditional Name: 3-[3-(tert-butoxycarbonylamino)propylamino]-1-methyl-indole-2-carboxylic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC1=C(N(C2=CC=CC=C21)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC1=C(N(C2=CC=CC=C21)C)C(=O)O

InChI

InChI=1S/C18H25N3O4/c1-18(2,3)25-17(24)20-11-7-10-19-14-12-8-5-6-9-13(12)21(4)15(14)16(22)23/h5-6,8-9,19H,7,10-11H2,1-4H3,(H,20,24)(H,22,23)