tert-butyl 5-[[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)amino]methyl]-2-methyl-indole-1-carboxylate

Systemtic Name: tert-butyl 5-[[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)amino]methyl]-2-methyl-indole-1-carboxylate Openeye Name: tert-butyl 5-[[(1-carbamoyl-3-methyl-butyl)amino]methyl]-2-methyl-indole-1-carboxylate CAS Name: 5-[[(1-amino-4-methyl-1-oxopentan-2-yl)amino]methyl]-2-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[(1-amino-4-methyl-1-oxopentan-2-yl)amino]methyl]-2-methylindole-1-carboxylate Traditional Name: 5-[[(1-carbamoyl-3-methyl-butyl)amino]methyl]-2-methyl-indole-1-carboxylic acid tert-butyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)CNC(CC(C)C)C(=O)N

Isomeric SMILES

CC1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)CNC(CC(C)C)C(=O)N

InChI

InChI=1S/C21H31N3O3/c1-13(2)9-17(19(22)25)23-12-15-7-8-18-16(11-15)10-14(3)24(18)20(26)27-21(4,5)6/h7-8,10-11,13,17,23H,9,12H2,1-6H3,(H2,22,25)