methyl (2S)-2-[[(E)-15-oxidanylidenepentadec-13-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(E)-15-oxidanylidenepentadec-13-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(E)-15-oxopentadec-13-enoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-1,15-dioxopentadec-13-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-15-oxopentadec-13-enoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-15-ketopentadec-13-enoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H37NO4 MolecularWeight: 415.56558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCCCCCCCCCC=CC=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCCCCCCCCC/C=C/C=O

InChI

InChI=1S/C25H37NO4/c1-30-25(29)23(21-22-17-13-12-14-18-22)26-24(28)19-15-10-8-6-4-2-3-5-7-9-11-16-20-27/h11-14,16-18,20,23H,2-10,15,19,21H2,1H3,(H,26,28)/b16-11+/t23-/m0/s1