(4-nitrophenyl) 2-(decanoylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-nitrophenyl) 2-(decanoylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: (4-nitrophenyl) 2-(decanoylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(1-oxodecylamino)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(decanoylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(caprylamino)-3-(1H-indol-3-yl)propionic acid (4-nitrophenyl) ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H33N3O5/c1-2-3-4-5-6-7-8-13-26(31)29-25(18-20-19-28-24-12-10-9-11-23(20)24)27(32)35-22-16-14-21(15-17-22)30(33)34/h9-12,14-17,19,25,28H,2-8,13,18H2,1H3,(H,29,31)