methyl 3-(5-azanylpentyl)-7-propan-2-yl-azulene-1-carboxylate

Systemtic Name: methyl 3-(5-azanylpentyl)-7-propan-2-yl-azulene-1-carboxylate Openeye Name: methyl 3-(5-aminopentyl)-7-isopropyl-azulene-1-carboxylate CAS Name: 3-(5-aminopentyl)-7-propan-2-yl-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(5-aminopentyl)-7-propan-2-ylazulene-1-carboxylate Traditional Name: 3-(5-aminopentyl)-7-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=CC2=C(C=C(C2=C1)C(=O)OC)CCCCCN

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2/c1-14(2)15-9-7-10-17-16(8-5-4-6-11-21)13-19(18(17)12-15)20(22)23-3/h7,9-10,12-14H,4-6,8,11,21H2,1-3H3