[(2S)-2-[[(Z)-heptadec-8-enoyl]amino]-3-[4-(3-methoxyphenyl)carbonyloxyphenyl]propyl]phosphonic acid

Systemtic Name: [(2S)-2-[[(Z)-heptadec-8-enoyl]amino]-3-[4-(3-methoxyphenyl)carbonyloxyphenyl]propyl]phosphonic acid Openeye Name: [(2S)-2-[[(Z)-heptadec-8-enoyl]amino]-3-[4-(3-methoxybenzoyl)oxyphenyl]propyl]phosphonic acid CAS Name: [(2S)-3-[4-[(3-methoxyphenyl)-oxomethoxy]phenyl]-2-[[(Z)-1-oxoheptadec-8-enyl]amino]propyl]phosphonic acid IUPAC Name: [(2S)-2-[[(Z)-heptadec-8-enoyl]amino]-3-[4-(3-methoxybenzoyl)oxyphenyl]propyl]phosphonic acid Traditional Name: [(2S)-2-[[(Z)-heptadec-8-enoyl]amino]-3-(4-m-anisoyloxyphenyl)propyl]phosphonic acid Formula: C34H50NO7P MolecularWeight: 615.737061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(=O)NC(CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)OC)CP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C34H50NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-30(27-43(38,39)40)25-28-21-23-31(24-22-28)42-34(37)29-18-17-19-32(26-29)41-2/h10-11,17-19,21-24,26,30H,3-9,12-16,20,25,27H2,1-2H3,(H,35,36)(H2,38,39,40)/b11-10-/t30-/m0/s1