methyl (E)-4-[2-[benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methyl]phenoxy]but-2-enoate

Systemtic Name: methyl (E)-4-[2-[benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methyl]phenoxy]but-2-enoate Openeye Name: methyl (E)-4-[2-[benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methyl]phenoxy]but-2-enoate CAS Name: (E)-4-[2-[1-benzotriazolyl-(4-phenyl-1-piperazinyl)methyl]phenoxy]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[2-[benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methyl]phenoxy]but-2-enoate Traditional Name: (E)-4-[2-[benzotriazol-1-yl-(4-phenylpiperazino)methyl]phenoxy]but-2-enoic acid methyl ester Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCOC1=CC=CC=C1C(N2CCN(CC2)C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)/C=C/COC1=CC=CC=C1C(N2CCN(CC2)C3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H29N5O3/c1-35-27(34)16-9-21-36-26-15-8-5-12-23(26)28(33-25-14-7-6-13-24(25)29-30-33)32-19-17-31(18-20-32)22-10-3-2-4-11-22/h2-16,28H,17-21H2,1H3/b16-9+