methyl 2-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-5-yl]oxymethyl]benzoate

Systemtic Name: methyl 2-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-5-yl]oxymethyl]benzoate Openeye Name: methyl 2-[[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-5-yl]oxymethyl]benzoate CAS Name: 2-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-5-indolyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]oxymethyl]benzoate Traditional Name: 2-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-indol-5-yl]oxymethyl]benzoic acid methyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4C(=O)OC)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4C(=O)OC)CC(=O)N

InChI

InChI=1S/C28H28N2O4/c1-3-25-24(16-27(29)31)23-15-21(34-18-20-11-7-8-12-22(20)28(32)33-2)13-14-26(23)30(25)17-19-9-5-4-6-10-19/h4-15H,3,16-18H2,1-2H3,(H2,29,31)