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

Systemtic Name: methyl 3-(7-azanylheptyl)-6-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-(7-aminoheptyl)-6-isopropyl-azulene-1-carboxylate CAS Name: 3-(7-aminoheptyl)-6-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(7-aminoheptyl)-6-propan-2-ylazulene-1-carboxylate Traditional Name: 3-(7-aminoheptyl)-6-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCCCCN)C(=O)OC)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCCCN)C(=O)OC)C=C1

InChI

InChI=1S/C22H31NO2/c1-16(2)17-10-12-19-18(9-7-5-4-6-8-14-23)15-21(22(24)25-3)20(19)13-11-17/h10-13,15-16H,4-9,14,23H2,1-3H3