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

Systemtic Name: methyl 3-(7-azanylheptyl)-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-(7-aminoheptyl)-7-isopropyl-azulene-1-carboxylate CAS Name: 3-(7-aminoheptyl)-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(7-aminoheptyl)-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-(7-aminoheptyl)-7-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=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO2/c1-16(2)17-11-9-12-19-18(10-7-5-4-6-8-13-23)15-21(20(19)14-17)22(24)25-3/h9,11-12,14-16H,4-8,10,13,23H2,1-3H3