methyl (2S)-2-[[(E)-3-(4-methoxy-3-pentoxy-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-(4-methoxy-3-pentoxy-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(E)-3-(4-methoxy-3-pentoxy-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-3-(4-methoxy-3-pentoxyphenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-3-(3-amoxy-4-methoxy-phenyl)acryloyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1)C=CC(=O)NC(CC2=CC=CC=C2)C(=O)OC)OC

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1)/C=C/C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OC

InChI

InChI=1S/C25H31NO5/c1-4-5-9-16-31-23-18-20(12-14-22(23)29-2)13-15-24(27)26-21(25(28)30-3)17-19-10-7-6-8-11-19/h6-8,10-15,18,21H,4-5,9,16-17H2,1-3H3,(H,26,27)/b15-13+/t21-/m0/s1