ethyl 2-[3-chloranyl-4-[(2R)-2-phenyl-4-(phenylmethyl)piperazin-1-yl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[3-chloranyl-4-[(2R)-2-phenyl-4-(phenylmethyl)piperazin-1-yl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[(2R)-4-benzyl-2-phenyl-piperazin-1-yl]-3-chloro-phenoxy]acetate CAS Name: 2-[3-chloro-4-[(2R)-2-phenyl-4-(phenylmethyl)-1-piperazinyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(2R)-4-benzyl-2-phenylpiperazin-1-yl]-3-chlorophenoxy]acetate Traditional Name: 2-[4-[(2R)-4-benzyl-2-phenyl-piperazino]-3-chloro-phenoxy]acetic acid ethyl ester Formula: C27H29ClN2O3 MolecularWeight: 464.98376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC(=C(C=C1)N2CCN(CC2C3=CC=CC=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)COC1=CC(=C(C=C1)N2CCN(C[C@H]2C3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H29ClN2O3/c1-2-32-27(31)20-33-23-13-14-25(24(28)17-23)30-16-15-29(18-21-9-5-3-6-10-21)19-26(30)22-11-7-4-8-12-22/h3-14,17,26H,2,15-16,18-20H2,1H3/t26-/m0/s1