methyl 3-(4-azanylbutyl)azulene-1-carboxylate

Systemtic Name: methyl 3-(4-azanylbutyl)azulene-1-carboxylate Openeye Name: methyl 3-(4-aminobutyl)azulene-1-carboxylate CAS Name: 3-(4-aminobutyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-aminobutyl)azulene-1-carboxylate Traditional Name: 3-(4-aminobutyl)azulene-1-carboxylic acid methyl ester Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO2/c1-19-16(18)15-11-12(7-5-6-10-17)13-8-3-2-4-9-14(13)15/h2-4,8-9,11H,5-7,10,17H2,1H3