ethyl 3-[(E)-3-azanyl-3-methyl-but-1-enyl]-8-methyl-5-propan-2-yl-azulene-1-carboxylate

Systemtic Name: ethyl 3-[(E)-3-azanyl-3-methyl-but-1-enyl]-8-methyl-5-propan-2-yl-azulene-1-carboxylate Openeye Name: ethyl 3-[(E)-3-amino-3-methyl-but-1-enyl]-5-isopropyl-8-methyl-azulene-1-carboxylate CAS Name: 3-[(E)-3-amino-3-methylbut-1-enyl]-8-methyl-5-propan-2-yl-1-azulenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-3-amino-3-methylbut-1-enyl]-8-methyl-5-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[(E)-3-amino-3-methyl-but-1-enyl]-5-isopropyl-8-methyl-azulene-1-carboxylic acid ethyl ester Formula: C22H29NO2 MolecularWeight: 339.47116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C1=C(C=CC(=C2)C(C)C)C)C=CC(C)(C)N

Isomeric SMILES

CCOC(=O)C1=CC(=C2C1=C(C=CC(=C2)C(C)C)C)/C=C/C(C)(C)N

InChI

InChI=1S/C22H29NO2/c1-7-25-21(24)19-13-17(10-11-22(5,6)23)18-12-16(14(2)3)9-8-15(4)20(18)19/h8-14H,7,23H2,1-6H3/b11-10+