[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-propenoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)acrylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C22H30ClNO5 MolecularWeight: 423.9303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)OCC(=O)N2CCCCCCC2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC(=O)N2CCCCCCC2)OC

InChI

InChI=1S/C22H30ClNO5/c1-16(2)29-22-18(23)13-17(14-19(22)27-3)9-10-21(26)28-15-20(25)24-11-7-5-4-6-8-12-24/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3/b10-9+