(2S)-2-[[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[[(E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide Openeye Name: (2S)-2-[[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-oxoprop-2-enyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[(E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acryloyl]amino]-N-propyl-propionamide Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C=CC1=CC(=C(C(=C1)Cl)OCC)OC

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)/C=C/C1=CC(=C(C(=C1)Cl)OCC)OC

InChI

InChI=1S/C18H25ClN2O4/c1-5-9-20-18(23)12(3)21-16(22)8-7-13-10-14(19)17(25-6-2)15(11-13)24-4/h7-8,10-12H,5-6,9H2,1-4H3,(H,20,23)(H,21,22)/b8-7+/t12-/m0/s1