methyl 3-(5-azanylpentyl)azulene-1-carboxylate

Systemtic Name: methyl 3-(5-azanylpentyl)azulene-1-carboxylate Openeye Name: methyl 3-(5-aminopentyl)azulene-1-carboxylate CAS Name: 3-(5-aminopentyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(5-aminopentyl)azulene-1-carboxylate Traditional Name: 3-(5-aminopentyl)azulene-1-carboxylic acid methyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO2/c1-20-17(19)16-12-13(8-4-3-7-11-18)14-9-5-2-6-10-15(14)16/h2,5-6,9-10,12H,3-4,7-8,11,18H2,1H3