methyl 4-[(E)-2-(1,4-dimethyl-7-propan-2-yl-azulen-2-yl)ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(1,4-dimethyl-7-propan-2-yl-azulen-2-yl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(7-isopropyl-1,4-dimethyl-azulen-2-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(1,4-dimethyl-7-propan-2-yl-2-azulenyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(1,4-dimethyl-7-propan-2-ylazulen-2-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(7-isopropyl-1,4-dimethyl-azulen-2-yl)vinyl]benzoic acid methyl ester Formula: C25H26O2 MolecularWeight: 358.47274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=C2C=C(C=C1)C(C)C)C)C=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C2C=C(C(=C2C=C(C=C1)C(C)C)C)/C=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H26O2/c1-16(2)21-10-6-17(3)23-15-22(18(4)24(23)14-21)13-9-19-7-11-20(12-8-19)25(26)27-5/h6-16H,1-5H3/b13-9+