methyl (E)-6-[3-[[C-phenoxy-N-(phenylcarbonyl)carbonimidoyl]amino]phenyl]-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: methyl (E)-6-[3-[[C-phenoxy-N-(phenylcarbonyl)carbonimidoyl]amino]phenyl]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (E)-6-[3-[(N-benzoyl-C-phenoxy-carbonimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoate CAS Name: (E)-6-[3-[[benzoylimino(phenoxy)methyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[3-[(N-benzoyl-C-phenoxycarbonimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoate Traditional Name: (E)-6-[3-[(N-benzoyl-C-phenoxy-carbonimidoyl)amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid methyl ester Formula: C32H29N3O4 MolecularWeight: 519.59036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=C(C1=CC(=CC=C1)NC(=NC(=O)C2=CC=CC=C2)OC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC(=O)CCC/C=C(\C1=CC(=CC=C1)NC(=NC(=O)C2=CC=CC=C2)OC3=CC=CC=C3)/C4=CN=CC=C4

InChI

InChI=1S/C32H29N3O4/c1-38-30(36)20-9-8-19-29(26-15-11-21-33-23-26)25-14-10-16-27(22-25)34-32(39-28-17-6-3-7-18-28)35-31(37)24-12-4-2-5-13-24/h2-7,10-19,21-23H,8-9,20H2,1H3,(H,34,35,37)/b29-19+