2-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[(R)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazin-1-yl]-[4-(diethylcarbamoyl)phenyl]methyl]phenoxy]acetic acid CAS Name: 2-[3-[(R)-[4-[diethylamino(oxo)methyl]phenyl]-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[(R)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazino]-[4-(diethylcarbamoyl)phenyl]methyl]phenoxy]acetic acid Formula: C29H39N3O4 MolecularWeight: 493.63766

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OCC(=O)O)N3CC(N(CC3C)CC=C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)OCC(=O)O)N3C[C@H](N(C[C@@H]3C)CC=C)C

InChI

InChI=1S/C29H39N3O4/c1-6-16-31-18-22(5)32(19-21(31)4)28(25-10-9-11-26(17-25)36-20-27(33)34)23-12-14-24(15-13-23)29(35)30(7-2)8-3/h6,9-15,17,21-22,28H,1,7-8,16,18-20H2,2-5H3,(H,33,34)/t21-,22+,28-/m1/s1