benzoic acid; 1-[2-(diphenylmethyl)oxyethyl]-4-[(E)-3-phenylprop-1-enyl]piperazine

Systemtic Name: benzoic acid; 1-[2-(diphenylmethyl)oxyethyl]-4-[(E)-3-phenylprop-1-enyl]piperazine Openeye Name: 1-(2-benzhydryloxyethyl)-4-[(E)-3-phenylprop-1-enyl]piperazine; benzoic acid CAS Name: benzoic acid; 1-[2-(diphenylmethyl)oxyethyl]-4-[(E)-3-phenylprop-1-enyl]piperazine IUPAC Name: 1-(2-benzhydryloxyethyl)-4-[(E)-3-phenylprop-1-enyl]piperazine; benzoic acid Traditional Name: 1-(2-benzhydryloxyethyl)-4-[(E)-3-phenylprop-1-enyl]piperazine; benzoic acid Formula: C35H38N2O3 MolecularWeight: 534.68782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C=CCC4=CC=CC=C4.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)/C=C/CC4=CC=CC=C4.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C28H32N2O.C7H6O2/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27;8-7(9)6-4-2-1-3-5-6/h1-12,14-18,28H,13,19-24H2;1-5H,(H,8,9)/b18-10+;