methyl 3-(5-azanylpentyl)-6-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-(5-azanylpentyl)-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-(5-aminopentyl)-6-isopropyl-azulene-1-carboxylate CAS Name: 3-(5-aminopentyl)-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(5-aminopentyl)-6-propan-2-ylazulene-1-carboxylate Traditional Name: 3-(5-aminopentyl)-6-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCCN)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCN)C(=O)OC)C=C1

InChI

InChI=1S/C20H27NO2/c1-14(2)15-8-10-17-16(7-5-4-6-12-21)13-19(20(22)23-3)18(17)11-9-15/h8-11,13-14H,4-7,12,21H2,1-3H3