[3-dodecanoyl-4-(phenylmethyl)-1H-indol-2-yl] hydrogen carbonate

Systemtic Name: [3-dodecanoyl-4-(phenylmethyl)-1H-indol-2-yl] hydrogen carbonate Openeye Name: (4-benzyl-3-dodecanoyl-1H-indol-2-yl) hydrogen carbonate CAS Name: carbonic acid [3-(1-oxododecyl)-4-(phenylmethyl)-1H-indol-2-yl] ester IUPAC Name: (4-benzyl-3-dodecanoyl-1H-indol-2-yl) hydrogen carbonate Traditional Name: carbonic acid (4-benzyl-3-lauroyl-1H-indol-2-yl) ester Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(NC2=CC=CC(=C21)CC3=CC=CC=C3)OC(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(NC2=CC=CC(=C21)CC3=CC=CC=C3)OC(=O)O

InChI

InChI=1S/C28H35NO4/c1-2-3-4-5-6-7-8-9-13-19-24(30)26-25-22(20-21-15-11-10-12-16-21)17-14-18-23(25)29-27(26)33-28(31)32/h10-12,14-18,29H,2-9,13,19-20H2,1H3,(H,31,32)