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

Systemtic Name: tert-butyl 5-[[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)amino]methyl]indole-1-carboxylate Openeye Name: tert-butyl 5-[[(1-carbamoyl-3-methyl-butyl)amino]methyl]indole-1-carboxylate CAS Name: 5-[[(1-amino-4-methyl-1-oxopentan-2-yl)amino]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[[(1-amino-4-methyl-1-oxopentan-2-yl)amino]methyl]indole-1-carboxylate Traditional Name: 5-[[(1-carbamoyl-3-methyl-butyl)amino]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NCC1=CC2=C(C=C1)N(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)N)NCC1=CC2=C(C=C1)N(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N3O3/c1-13(2)10-16(18(21)24)22-12-14-6-7-17-15(11-14)8-9-23(17)19(25)26-20(3,4)5/h6-9,11,13,16,22H,10,12H2,1-5H3,(H2,21,24)