ethyl (E)-7-(benzotriazol-1-yl)-7-[phenethyl-(phenylmethyl)amino]hept-2-enoate

Systemtic Name: ethyl (E)-7-(benzotriazol-1-yl)-7-[phenethyl-(phenylmethyl)amino]hept-2-enoate Openeye Name: ethyl (E)-7-(benzotriazol-1-yl)-7-[benzyl(phenethyl)amino]hept-2-enoate CAS Name: (E)-7-(1-benzotriazolyl)-7-[phenethyl-(phenylmethyl)amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-(benzotriazol-1-yl)-7-[benzyl(phenethyl)amino]hept-2-enoate Traditional Name: (E)-7-(benzotriazol-1-yl)-7-[benzyl(phenethyl)amino]hept-2-enoic acid ethyl ester Formula: C30H34N4O2 MolecularWeight: 482.61656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCCCC(N1C2=CC=CC=C2N=N1)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)/C=C/CCCC(N1C2=CC=CC=C2N=N1)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H34N4O2/c1-2-36-30(35)21-11-5-10-20-29(34-28-19-13-12-18-27(28)31-32-34)33(24-26-16-8-4-9-17-26)23-22-25-14-6-3-7-15-25/h3-4,6-9,11-19,21,29H,2,5,10,20,22-24H2,1H3/b21-11+