2-hydroxyethyl 3-butylazulene-1-carboxylate

Systemtic Name: 2-hydroxyethyl 3-butylazulene-1-carboxylate Openeye Name: 2-hydroxyethyl 3-butylazulene-1-carboxylate CAS Name: 3-butyl-1-azulenecarboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-butylazulene-1-carboxylate Traditional Name: 3-butylazulene-1-carboxylic acid 2-hydroxyethyl ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC=CC=C2C(=C1)C(=O)OCCO

Isomeric SMILES

CCCCC1=C2C=CC=CC=C2C(=C1)C(=O)OCCO

InChI

InChI=1S/C17H20O3/c1-2-3-7-13-12-16(17(19)20-11-10-18)15-9-6-4-5-8-14(13)15/h4-6,8-9,12,18H,2-3,7,10-11H2,1H3