tert-butyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylate

Systemtic Name: tert-butyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylate Openeye Name: tert-butyl 2-[2-(m-tolyl)cyclopropyl]-4-oxo-3-propyl-chromene-6-carboxylate CAS Name: 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propyl-1-benzopyran-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(3-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate Traditional Name: 4-keto-2-[2-(m-tolyl)cyclopropyl]-3-propyl-chromene-6-carboxylic acid tert-butyl ester Formula: C27H30O4 MolecularWeight: 418.5247

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OC(C)(C)C)C3CC3C4=CC(=CC=C4)C

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OC(C)(C)C)C3CC3C4=CC(=CC=C4)C

InChI

InChI=1S/C27H30O4/c1-6-8-19-24(28)22-14-18(26(29)31-27(3,4)5)11-12-23(22)30-25(19)21-15-20(21)17-10-7-9-16(2)13-17/h7,9-14,20-21H,6,8,15H2,1-5H3