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

Systemtic Name: ethyl 3-[(E)-3-azanylbut-1-enyl]-8-methyl-5-propan-2-yl-azulene-1-carboxylate Openeye Name: ethyl 3-[(E)-3-aminobut-1-enyl]-5-isopropyl-8-methyl-azulene-1-carboxylate CAS Name: 3-[(E)-3-aminobut-1-enyl]-8-methyl-5-propan-2-yl-1-azulenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-3-aminobut-1-enyl]-8-methyl-5-propan-2-ylazulene-1-carboxylate Traditional Name: 3-[(E)-3-aminobut-1-enyl]-5-isopropyl-8-methyl-azulene-1-carboxylic acid ethyl ester Formula: C21H27NO2 MolecularWeight: 325.44458

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2/c1-6-24-21(23)19-12-17(10-8-15(5)22)18-11-16(13(2)3)9-7-14(4)20(18)19/h7-13,15H,6,22H2,1-5H3/b10-8+