4-[(2S)-3-acetyloxy-2-[[(Z)-octadec-9-enoyl]amino]propyl]benzoic acid

Systemtic Name: 4-[(2S)-3-acetyloxy-2-[[(Z)-octadec-9-enoyl]amino]propyl]benzoic acid Openeye Name: 4-[(2S)-3-acetoxy-2-[[(Z)-octadec-9-enoyl]amino]propyl]benzoic acid CAS Name: 4-[(2S)-3-acetyloxy-2-[[(Z)-1-oxooctadec-9-enyl]amino]propyl]benzoic acid IUPAC Name: 4-[(2S)-3-acetyloxy-2-[[(Z)-octadec-9-enoyl]amino]propyl]benzoic acid Traditional Name: 4-[(2S)-3-acetoxy-2-[[(Z)-octadec-9-enoyl]amino]propyl]benzoic acid Formula: C30H47NO5 MolecularWeight: 501.69788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)C(=O)O)COC(=O)C

InChI

InChI=1S/C30H47NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(33)31-28(24-36-25(2)32)23-26-19-21-27(22-20-26)30(34)35/h10-11,19-22,28H,3-9,12-18,23-24H2,1-2H3,(H,31,33)(H,34,35)/b11-10-/t28-/m0/s1