methyl 3-(6-azanylhexyl)-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-(6-azanylhexyl)-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-(6-aminohexyl)-7-isopropyl-azulene-1-carboxylate CAS Name: 3-(6-aminohexyl)-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(6-aminohexyl)-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-(6-aminohexyl)-7-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCCN

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCCN

InChI

InChI=1S/C21H29NO2/c1-15(2)16-10-8-11-18-17(9-6-4-5-7-12-22)14-20(19(18)13-16)21(23)24-3/h8,10-11,13-15H,4-7,9,12,22H2,1-3H3