methyl (2S)-2-[[(E)-3-methoxyoctacos-4-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-methoxyoctacos-4-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(E)-3-methoxyoctacos-4-enoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-3-methoxy-1-oxooctacos-4-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-methoxyoctacos-4-enoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-3-methoxyoctacos-4-enoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C39H67NO4 MolecularWeight: 613.95358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC=CC(CC(=O)NC(CC1=CC=CC=C1)C(=O)OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC/C=C/C(CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)OC

InChI

InChI=1S/C39H67NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-36(43-2)34-38(41)40-37(39(42)44-3)33-35-30-27-26-28-31-35/h26-32,36-37H,4-25,33-34H2,1-3H3,(H,40,41)/b32-29+/t36?,37-/m0/s1