[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(4-benzyloxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-propenoic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxy-3-ethoxy-phenyl)acrylic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C26H25ClN2O5 MolecularWeight: 480.9401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25ClN2O5/c1-3-32-23-15-19(9-12-22(23)33-17-20-7-5-4-6-8-20)10-14-25(30)34-18(2)26(31)29-24-13-11-21(27)16-28-24/h4-16,18H,3,17H2,1-2H3,(H,28,29,31)/b14-10+