methyl 4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]benzoate

Systemtic Name: methyl 4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]benzoate Openeye Name: methyl 4-[[(2S,5R)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]benzoate CAS Name: 4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-(3-methoxyphenyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]benzoate Traditional Name: 4-[[(2S,5R)-4-allyl-2,5-dimethyl-piperazino]-(3-methoxyphenyl)methyl]benzoic acid methyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC=C(C=C2)C(=O)OC)C3=CC(=CC=C3)OC)C)CC=C

Isomeric SMILES

C[C@H]1CN([C@@H](CN1C(C2=CC=C(C=C2)C(=O)OC)C3=CC(=CC=C3)OC)C)CC=C

InChI

InChI=1S/C25H32N2O3/c1-6-14-26-16-19(3)27(17-18(26)2)24(22-8-7-9-23(15-22)29-4)20-10-12-21(13-11-20)25(28)30-5/h6-13,15,18-19,24H,1,14,16-17H2,2-5H3/t18-,19+,24?/m1/s1