tert-butyl N-[(2S)-7-bromanyl-1-(2,3-dihydro-1H-inden-2-ylamino)-1-oxidanylidene-heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-7-bromanyl-1-(2,3-dihydro-1H-inden-2-ylamino)-1-oxidanylidene-heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-6-bromo-1-(indan-2-ylcarbamoyl)hexyl]carbamate CAS Name: N-[(2S)-7-bromo-1-(2,3-dihydro-1H-inden-2-ylamino)-1-oxoheptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-7-bromo-1-(2,3-dihydro-1H-inden-2-ylamino)-1-oxoheptan-2-yl]carbamate Traditional Name: N-[(1S)-6-bromo-1-(indan-2-ylcarbamoyl)hexyl]carbamic acid tert-butyl ester Formula: C21H31BrN2O3 MolecularWeight: 439.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCCBr)C(=O)NC1CC2=CC=CC=C2C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCCBr)C(=O)NC1CC2=CC=CC=C2C1

InChI

InChI=1S/C21H31BrN2O3/c1-21(2,3)27-20(26)24-18(11-5-4-8-12-22)19(25)23-17-13-15-9-6-7-10-16(15)14-17/h6-7,9-10,17-18H,4-5,8,11-14H2,1-3H3,(H,23,25)(H,24,26)/t18-/m0/s1