methyl 3-(8-azanyloctyl)azulene-1-carboxylate

Systemtic Name: methyl 3-(8-azanyloctyl)azulene-1-carboxylate Openeye Name: methyl 3-(8-aminooctyl)azulene-1-carboxylate CAS Name: 3-(8-aminooctyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(8-aminooctyl)azulene-1-carboxylate Traditional Name: 3-(8-aminooctyl)azulene-1-carboxylic acid methyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2/c1-23-20(22)19-15-16(11-7-4-2-3-5-10-14-21)17-12-8-6-9-13-18(17)19/h6,8-9,12-13,15H,2-5,7,10-11,14,21H2,1H3