methyl 3-(4-azanylbutyl)-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-(4-azanylbutyl)-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-(4-aminobutyl)-7-isopropyl-azulene-1-carboxylate CAS Name: 3-(4-aminobutyl)-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-aminobutyl)-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-(4-aminobutyl)-7-isopropyl-azulene-1-carboxylic acid methyl ester Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO2/c1-13(2)14-8-6-9-16-15(7-4-5-10-20)12-18(17(16)11-14)19(21)22-3/h6,8-9,11-13H,4-5,7,10,20H2,1-3H3