[1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate

Systemtic Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate Openeye Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [1-(1-methoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-methoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OC

InChI

InChI=1S/C25H28O4/c1-4-18-28-23-12-10-22(11-13-23)24(26)29-25(19(2)27-3)16-14-21(15-17-25)20-8-6-5-7-9-20/h5-17,19,21H,4,18H2,1-3H3