2-[7-[4-(pyridin-2-ylamino)butoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]ethanoate

Systemtic Name: 2-[7-[4-(pyridin-2-ylamino)butoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]ethanoate Openeye Name: 2-[7-[4-(2-pyridylamino)butoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate CAS Name: 2-[7-[4-(2-pyridinylamino)butoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate IUPAC Name: 2-[7-[4-(pyridin-2-ylamino)butoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate Traditional Name: 2-[7-[4-(2-pyridylamino)butoxymethyl]-8,9-dihydro-5H-benzocyclohepten-9-yl]acetate Formula: C23H27N2O3- MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C2=CC=CC=C21)CC(=O)[O-])COCCCCNC3=CC=CC=N3

Isomeric SMILES

C1C=C(CC(C2=CC=CC=C21)CC(=O)[O-])COCCCCNC3=CC=CC=N3

InChI

InChI=1S/C23H28N2O3/c26-23(27)16-20-15-18(10-11-19-7-1-2-8-21(19)20)17-28-14-6-5-13-25-22-9-3-4-12-24-22/h1-4,7-10,12,20H,5-6,11,13-17H2,(H,24,25)(H,26,27)/p-1