[[(5S)-5-azanyl-6-methoxy-6-oxidanylidene-hexyl]-[(E)-3-phenylprop-2-enoyl]amino] benzoate

Systemtic Name: [[(5S)-5-azanyl-6-methoxy-6-oxidanylidene-hexyl]-[(E)-3-phenylprop-2-enoyl]amino] benzoate Openeye Name: [[(5S)-5-amino-6-methoxy-6-oxo-hexyl]-[(E)-3-phenylprop-2-enoyl]amino] benzoate CAS Name: benzoic acid [[(5S)-5-amino-6-methoxy-6-oxohexyl]-[(E)-1-oxo-3-phenylprop-2-enyl]amino] ester IUPAC Name: [[(5S)-5-amino-6-methoxy-6-oxohexyl]-[(E)-3-phenylprop-2-enoyl]amino] benzoate Traditional Name: benzoic acid [[(5S)-5-amino-6-keto-6-methoxy-hexyl]-[(E)-3-phenylacryloyl]amino] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN(C(=O)C=CC1=CC=CC=C1)OC(=O)C2=CC=CC=C2)N

Isomeric SMILES

COC(=O)[C@H](CCCCN(C(=O)/C=C/C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C23H26N2O5/c1-29-23(28)20(24)14-8-9-17-25(30-22(27)19-12-6-3-7-13-19)21(26)16-15-18-10-4-2-5-11-18/h2-7,10-13,15-16,20H,8-9,14,17,24H2,1H3/b16-15+/t20-/m0/s1