2-[7-[5-(pyridin-2-ylamino)pentoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]ethanoate

Systemtic Name: 2-[7-[5-(pyridin-2-ylamino)pentoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]ethanoate Openeye Name: 2-[7-[5-(2-pyridylamino)pentoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate CAS Name: 2-[7-[5-(2-pyridinylamino)pentoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate IUPAC Name: 2-[7-[5-(pyridin-2-ylamino)pentoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate Traditional Name: 2-[7-[5-(2-pyridylamino)pentoxymethyl]-8,9-dihydro-5H-benzocyclohepten-9-yl]acetate Formula: C24H29N2O3- MolecularWeight: 393.49866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C2=CC=CC=C21)CC(=O)[O-])COCCCCCNC3=CC=CC=N3

Isomeric SMILES

C1C=C(CC(C2=CC=CC=C21)CC(=O)[O-])COCCCCCNC3=CC=CC=N3

InChI

InChI=1S/C24H30N2O3/c27-24(28)17-21-16-19(11-12-20-8-2-3-9-22(20)21)18-29-15-7-1-5-13-25-23-10-4-6-14-26-23/h2-4,6,8-11,14,21H,1,5,7,12-13,15-18H2,(H,25,26)(H,27,28)/p-1