2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]naphthalene-1-carboxylic acid

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]naphthalene-1-carboxylic acid Openeye Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]naphthalene-1-carboxylic acid CAS Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]-1-naphthalenecarboxylic acid IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]naphthalene-1-carboxylic acid Traditional Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]-1-naphthoic acid Formula: C30H29ClN2O3 MolecularWeight: 501.01586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=C(C3=CC=CC=C3C=C2)C(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCOC2=C(C3=CC=CC=C3C=C2)C(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H29ClN2O3/c31-25-13-10-24(11-14-25)29(23-7-2-1-3-8-23)33-18-16-32(17-19-33)20-21-36-27-15-12-22-6-4-5-9-26(22)28(27)30(34)35/h1-15,29H,16-21H2,(H,34,35)