tert-butyl 6-(4,5-dihydro-1H-imidazol-2-ylamino)-7-methyl-2,3-dihydroindole-1-carboxylate; ethanoic acid

Systemtic Name: tert-butyl 6-(4,5-dihydro-1H-imidazol-2-ylamino)-7-methyl-2,3-dihydroindole-1-carboxylate; ethanoic acid Openeye Name: acetic acid; tert-butyl 6-(4,5-dihydro-1H-imidazol-2-ylamino)-7-methyl-indoline-1-carboxylate CAS Name: acetic acid; 6-(4,5-dihydro-1H-imidazol-2-ylamino)-7-methyl-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: acetic acid; tert-butyl 6-(4,5-dihydro-1H-imidazol-2-ylamino)-7-methyl-2,3-dihydroindole-1-carboxylate Traditional Name: acetic acid; 6-(2-imidazolin-2-ylamino)-7-methyl-indoline-1-carboxylic acid tert-butyl ester Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(CC2)C(=O)OC(C)(C)C)NC3=NCCN3.CC(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N(CC2)C(=O)OC(C)(C)C)NC3=NCCN3.CC(=O)O

InChI

InChI=1S/C17H24N4O2.C2H4O2/c1-11-13(20-15-18-8-9-19-15)6-5-12-7-10-21(14(11)12)16(22)23-17(2,3)4;1-2(3)4/h5-6H,7-10H2,1-4H3,(H2,18,19,20);1H3,(H,3,4)