(phenylmethyl) 2-azanyl-5-[5-cyano-2-[2-(3-pyridin-3-ylphenyl)carbonylprop-2-enoyloxy]phenoxy]pentanoate

Systemtic Name: (phenylmethyl) 2-azanyl-5-[5-cyano-2-[2-(3-pyridin-3-ylphenyl)carbonylprop-2-enoyloxy]phenoxy]pentanoate Openeye Name: benzyl 2-amino-5-[5-cyano-2-[2-[3-(3-pyridyl)benzoyl]prop-2-enoyloxy]phenoxy]pentanoate CAS Name: 2-amino-5-[5-cyano-2-[1-oxo-2-[oxo-[3-(3-pyridinyl)phenyl]methyl]prop-2-enoxy]phenoxy]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-5-[5-cyano-2-[2-(3-pyridin-3-ylbenzoyl)prop-2-enoyloxy]phenoxy]pentanoate Traditional Name: 2-amino-5-[5-cyano-2-[2-[3-(3-pyridyl)benzoyl]acryloyl]oxy-phenoxy]valeric acid benzyl ester Formula: C34H29N3O6 MolecularWeight: 575.61056

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)C1=CC=CC(=C1)C2=CN=CC=C2)C(=O)OC3=C(C=C(C=C3)C#N)OCCCC(C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

C=C(C(=O)C1=CC=CC(=C1)C2=CN=CC=C2)C(=O)OC3=C(C=C(C=C3)C#N)OCCCC(C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C34H29N3O6/c1-23(32(38)27-11-5-10-26(19-27)28-12-6-16-37-21-28)33(39)43-30-15-14-25(20-35)18-31(30)41-17-7-13-29(36)34(40)42-22-24-8-3-2-4-9-24/h2-6,8-12,14-16,18-19,21,29H,1,7,13,17,22,36H2