3-[1-(methylamino)butyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[1-(methylamino)butyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 6-isopropyl-3-[1-(methylamino)butyl]azulene-1-carboxylic acid CAS Name: 3-[1-(methylamino)butyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[1-(methylamino)butyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 6-isopropyl-3-[1-(methylamino)butyl]azulene-1-carboxylic acid Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=C2C1=CC=C(C=C2)C(C)C)C(=O)O)NC

Isomeric SMILES

CCCC(C1=CC(=C2C1=CC=C(C=C2)C(C)C)C(=O)O)NC

InChI

InChI=1S/C19H25NO2/c1-5-6-18(20-4)16-11-17(19(21)22)15-10-8-13(12(2)3)7-9-14(15)16/h7-12,18,20H,5-6H2,1-4H3,(H,21,22)