[(2R,3R,6S)-2-methyl-6-(11-oxidanylidenedodecyl)piperidin-3-yl] 4-azanylbenzoate

Systemtic Name: [(2R,3R,6S)-2-methyl-6-(11-oxidanylidenedodecyl)piperidin-3-yl] 4-azanylbenzoate Openeye Name: [(2R,3R,6S)-2-methyl-6-(11-oxododecyl)-3-piperidyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [(2R,3R,6S)-2-methyl-6-(11-oxododecyl)-3-piperidinyl] ester IUPAC Name: [(2R,3R,6S)-2-methyl-6-(11-oxododecyl)piperidin-3-yl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [(2R,3R,6S)-6-(11-ketododecyl)-2-methyl-3-piperidyl] ester Formula: C25H40N2O3 MolecularWeight: 416.5967

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(N1)CCCCCCCCCCC(=O)C)OC(=O)C2=CC=C(C=C2)N

Isomeric SMILES

C[C@@H]1[C@@H](CC[C@@H](N1)CCCCCCCCCCC(=O)C)OC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C25H40N2O3/c1-19(28)11-9-7-5-3-4-6-8-10-12-23-17-18-24(20(2)27-23)30-25(29)21-13-15-22(26)16-14-21/h13-16,20,23-24,27H,3-12,17-18,26H2,1-2H3/t20-,23+,24-/m1/s1