[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H22ClNO5/c1-15(17-5-2-3-6-18(17)23)24-21(25)14-29-22(26)10-8-16-7-9-19-20(13-16)28-12-4-11-27-19/h2-3,5-10,13,15H,4,11-12,14H2,1H3,(H,24,25)/b10-8+/t15-/m1/s1