methyl 3-(6-azanylhexyl)azulene-1-carboxylate

Systemtic Name: methyl 3-(6-azanylhexyl)azulene-1-carboxylate Openeye Name: methyl 3-(6-aminohexyl)azulene-1-carboxylate CAS Name: 3-(6-aminohexyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(6-aminohexyl)azulene-1-carboxylate Traditional Name: 3-(6-aminohexyl)azulene-1-carboxylic acid methyl ester Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCN

Isomeric SMILES

COC(=O)C1=CC(=C2C1=CC=CC=C2)CCCCCCN

InChI

InChI=1S/C18H23NO2/c1-21-18(20)17-13-14(9-5-2-3-8-12-19)15-10-6-4-7-11-16(15)17/h4,6-7,10-11,13H,2-3,5,8-9,12,19H2,1H3