2-[7-[3-(pyridin-2-ylamino)propoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]ethanoate

Systemtic Name: 2-[7-[3-(pyridin-2-ylamino)propoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]ethanoate Openeye Name: 2-[7-[3-(2-pyridylamino)propoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate CAS Name: 2-[7-[3-(2-pyridinylamino)propoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate IUPAC Name: 2-[7-[3-(pyridin-2-ylamino)propoxymethyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetate Traditional Name: 2-[7-[3-(2-pyridylamino)propoxymethyl]-8,9-dihydro-5H-benzocyclohepten-9-yl]acetate Formula: C22H25N2O3- MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C2=CC=CC=C21)CC(=O)[O-])COCCCNC3=CC=CC=N3

Isomeric SMILES

C1C=C(CC(C2=CC=CC=C21)CC(=O)[O-])COCCCNC3=CC=CC=N3

InChI

InChI=1S/C22H26N2O3/c25-22(26)15-19-14-17(9-10-18-6-1-2-7-20(18)19)16-27-13-5-12-24-21-8-3-4-11-23-21/h1-4,6-9,11,19H,5,10,12-16H2,(H,23,24)(H,25,26)/p-1