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

Systemtic Name: [4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxy-propyl]phenyl] 4-azanylbenzoate Openeye Name: [4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxy-propyl]phenyl] 4-aminobenzoate CAS Name: 4-aminobenzoic 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-aminobenzoate Traditional Name: 4-aminobenzoic acid [4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxy-propyl]phenyl] ester Formula: C34H51N2O7P MolecularWeight: 630.751701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H51N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(37)36-31(27-42-44(39,40)41)26-28-18-24-32(25-19-28)43-34(38)29-20-22-30(35)23-21-29/h9-10,18-25,31H,2-8,11-17,26-27,35H2,1H3,(H,36,37)(H2,39,40,41)/b10-9-/t31-/m0/s1