1-methyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]indole-2-carboxylic acid

Systemtic Name: 1-methyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]indole-2-carboxylic acid Openeye Name: 7-[3-(tert-butoxycarbonylamino)propylamino]-1-methyl-indole-2-carboxylic acid CAS Name: 1-methyl-7-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propylamino]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]indole-2-carboxylic acid Traditional Name: 7-[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=CC=CC2=C1N(C(=C2)C(=O)O)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC1=CC=CC2=C1N(C(=C2)C(=O)O)C

InChI

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