4-methoxy-2-nitro-3-[4-(phenylmethyl)-1H-indol-3-yl]butanoic acid

Systemtic Name: 4-methoxy-2-nitro-3-[4-(phenylmethyl)-1H-indol-3-yl]butanoic acid Openeye Name: 3-(4-benzyl-1H-indol-3-yl)-4-methoxy-2-nitro-butanoic acid CAS Name: 4-methoxy-2-nitro-3-[4-(phenylmethyl)-1H-indol-3-yl]butanoic acid IUPAC Name: 3-(4-benzyl-1H-indol-3-yl)-4-methoxy-2-nitrobutanoic acid Traditional Name: 3-(4-benzyl-1H-indol-3-yl)-4-methoxy-2-nitro-butyric acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C1=CNC2=CC=CC(=C21)CC3=CC=CC=C3)C(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COCC(C1=CNC2=CC=CC(=C21)CC3=CC=CC=C3)C(C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-27-12-16(19(20(23)24)22(25)26)15-11-21-17-9-5-8-14(18(15)17)10-13-6-3-2-4-7-13/h2-9,11,16,19,21H,10,12H2,1H3,(H,23,24)