methyl 3-[3-[4-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]phenyl]-1H-1,2,4-triazol-5-yl]propanoate

Systemtic Name: methyl 3-[3-[4-[[2,5-dimethyl-4-(phenylmethyl)piperazin-1-yl]-(3-hydroxyphenyl)methyl]phenyl]-1H-1,2,4-triazol-5-yl]propanoate Openeye Name: methyl 3-[3-[4-[(4-benzyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-1H-1,2,4-triazol-5-yl]propanoate CAS Name: 3-[3-[4-[[2,5-dimethyl-4-(phenylmethyl)-1-piperazinyl]-(3-hydroxyphenyl)methyl]phenyl]-1H-1,2,4-triazol-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[4-[(4-benzyl-2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]phenyl]-1H-1,2,4-triazol-5-yl]propanoate Traditional Name: 3-[3-[4-[(4-benzyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]phenyl]-1H-1,2,4-triazol-5-yl]propionic acid methyl ester Formula: C32H37N5O3 MolecularWeight: 539.66788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC=C(C=C2)C3=NNC(=N3)CCC(=O)OC)C4=CC(=CC=C4)O)C)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(C(CN1C(C2=CC=C(C=C2)C3=NNC(=N3)CCC(=O)OC)C4=CC(=CC=C4)O)C)CC5=CC=CC=C5

InChI

InChI=1S/C32H37N5O3/c1-22-20-37(23(2)19-36(22)21-24-8-5-4-6-9-24)31(27-10-7-11-28(38)18-27)25-12-14-26(15-13-25)32-33-29(34-35-32)16-17-30(39)40-3/h4-15,18,22-23,31,38H,16-17,19-21H2,1-3H3,(H,33,34,35)