2-[7-[(4-azidobutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]-3,3-dimethyl-butanoate

Systemtic Name: 2-[7-[(4-azidobutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]-3,3-dimethyl-butanoate Openeye Name: 2-[7-[(4-azidobutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]-3,3-dimethyl-butanoate CAS Name: 2-[7-[[(4-azido-1-oxobutyl)amino]methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]-3,3-dimethylbutanoate IUPAC Name: 2-[7-[(4-azidobutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]-3,3-dimethylbutanoate Traditional Name: 2-[7-[(4-azidobutanoylamino)methyl]-8,9-dihydro-5H-benzocyclohepten-9-yl]-3,3-dimethyl-butyrate Formula: C22H29N4O3- MolecularWeight: 397.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1CC(=CCC2=CC=CC=C12)CNC(=O)CCCN=[N+]=[N-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(C1CC(=CCC2=CC=CC=C12)CNC(=O)CCCN=[N+]=[N-])C(=O)[O-]

InChI

InChI=1S/C22H30N4O3/c1-22(2,3)20(21(28)29)18-13-15(10-11-16-7-4-5-8-17(16)18)14-24-19(27)9-6-12-25-26-23/h4-5,7-8,10,18,20H,6,9,11-14H2,1-3H3,(H,24,27)(H,28,29)/p-1