1-[(5-chloranyl-2-methoxy-phenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperazine

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperazine Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperazine CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperazine Formula: C27H31ClN2O3 MolecularWeight: 466.99964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31ClN2O3/c1-3-32-26-17-21(9-11-25(26)33-19-20-7-5-4-6-8-20)27(30-15-13-29-14-16-30)23-18-22(28)10-12-24(23)31-2/h4-12,17-18,27,29H,3,13-16,19H2,1-2H3