methyl 4-[(S)-(2-oxidanylnaphthalen-1-yl)-(4-phenylpiperazin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(S)-(2-oxidanylnaphthalen-1-yl)-(4-phenylpiperazin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(S)-(2-hydroxy-1-naphthyl)-(4-phenylpiperazin-1-yl)methyl]benzoate CAS Name: 4-[(S)-(2-hydroxy-1-naphthalenyl)-(4-phenyl-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(S)-(2-hydroxynaphthalen-1-yl)-(4-phenylpiperazin-1-yl)methyl]benzoate Traditional Name: 4-[(S)-(2-hydroxy-1-naphthyl)-(4-phenylpiperazino)methyl]benzoic acid methyl ester Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@@H](C2=C(C=CC3=CC=CC=C32)O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3/c1-34-29(33)23-13-11-22(12-14-23)28(27-25-10-6-5-7-21(25)15-16-26(27)32)31-19-17-30(18-20-31)24-8-3-2-4-9-24/h2-16,28,32H,17-20H2,1H3/t28-/m0/s1