[4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxy-propyl]phenyl] 4-pentylbenzoate

Systemtic Name: [4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxy-propyl]phenyl] 4-pentylbenzoate Openeye Name: [4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxy-propyl]phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-[(2S)-2-[[(Z)-1-oxooctadec-9-enyl]amino]-3-phosphonooxypropyl]phenyl] ester IUPAC Name: [4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxypropyl]phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxy-propyl]phenyl] ester Formula: C39H60NO7P MolecularWeight: 685.869961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCC)COP(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCC)COP(=O)(O)O

InChI

InChI=1S/C39H60NO7P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-38(41)40-36(32-46-48(43,44)45)31-34-25-29-37(30-26-34)47-39(42)35-27-23-33(24-28-35)21-19-6-4-2/h12-13,23-30,36H,3-11,14-22,31-32H2,1-2H3,(H,40,41)(H2,43,44,45)/b13-12-/t36-/m0/s1