ethyl 3-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[[(E)-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C=CC3=CC(=C(C=C3)OCC)OC

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)/C=C/C3=CC(=C(C=C3)OCC)OC

InChI

InChI=1S/C27H35N3O5/c1-5-29-14-16-30(17-15-29)23-11-10-21(27(32)35-7-3)19-22(23)28-26(31)13-9-20-8-12-24(34-6-2)25(18-20)33-4/h8-13,18-19H,5-7,14-17H2,1-4H3,(H,28,31)/b13-9+