(2,4-dimethylphenyl)-[1-[3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]piperidin-4-yl]methanone

Systemtic Name: (2,4-dimethylphenyl)-[1-[3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]piperidin-4-yl]methanone Openeye Name: [1-[3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-4-piperidyl]-(2,4-dimethylphenyl)methanone CAS Name: (2,4-dimethylphenyl)-[1-[2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-4-piperidinyl]methanone IUPAC Name: (2,4-dimethylphenyl)-[1-[2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]piperidin-4-yl]methanone Traditional Name: [1-[3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-4-piperidyl]-(2,4-dimethylphenyl)methanone Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC(COC3=C(C=C(C=C3)CC=C)OC)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)CC(COC3=C(C=C(C=C3)CC=C)OC)O)C

InChI

InChI=1S/C27H35NO4/c1-5-6-21-8-10-25(26(16-21)31-4)32-18-23(29)17-28-13-11-22(12-14-28)27(30)24-9-7-19(2)15-20(24)3/h5,7-10,15-16,22-23,29H,1,6,11-14,17-18H2,2-4H3