ethyl 4-[(2R)-2-[[(Z)-octadec-9-enoyl]amino]-3-oxidanyl-propyl]benzoate

Systemtic Name: ethyl 4-[(2R)-2-[[(Z)-octadec-9-enoyl]amino]-3-oxidanyl-propyl]benzoate Openeye Name: ethyl 4-[(2R)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]propyl]benzoate CAS Name: 4-[(2R)-3-hydroxy-2-[[(Z)-1-oxooctadec-9-enyl]amino]propyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]propyl]benzoate Traditional Name: 4-[(2R)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]propyl]benzoic acid ethyl ester Formula: C30H49NO4 MolecularWeight: 487.71436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CC1=CC=C(C=C1)C(=O)OCC)CO

Isomeric SMILES

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

InChI

InChI=1S/C30H49NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(33)31-28(25-32)24-26-20-22-27(23-21-26)30(34)35-4-2/h11-12,20-23,28,32H,3-10,13-19,24-25H2,1-2H3,(H,31,33)/b12-11-/t28-/m1/s1