methyl 2-ethynyl-5,10-dimethyl-7-propan-2-yl-heptalene-1-carboxylate

Systemtic Name: methyl 2-ethynyl-5,10-dimethyl-7-propan-2-yl-heptalene-1-carboxylate Openeye Name: methyl 2-ethynyl-7-isopropyl-5,10-dimethyl-heptalene-1-carboxylate CAS Name: 2-ethynyl-5,10-dimethyl-7-propan-2-yl-1-heptalenecarboxylic acid methyl ester IUPAC Name: methyl 2-ethynyl-5,10-dimethyl-7-propan-2-ylheptalene-1-carboxylate Traditional Name: 2-ethynyl-7-isopropyl-5,10-dimethyl-heptalene-1-carboxylic acid methyl ester Formula: C21H22O2 MolecularWeight: 306.39818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC(=C2C(=C(C=C1)C#C)C(=O)OC)C)C(C)C

Isomeric SMILES

CC1=C2C=C(C=CC(=C2C(=C(C=C1)C#C)C(=O)OC)C)C(C)C

InChI

InChI=1S/C21H22O2/c1-7-16-10-8-14(4)18-12-17(13(2)3)11-9-15(5)19(18)20(16)21(22)23-6/h1,8-13H,2-6H3