2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-[[2-(dimethylamino)-2-oxo-ethyl]-methyl-amino]acetic acid CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-[[2-(dimethylamino)-2-keto-ethyl]-methyl-amino]acetic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN(C)C(C1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(C)C(=O)CN(C)C(C1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H25N3O4/c1-24(2)20(26)13-25(3)21(22(27)28)18-12-23-19-10-9-16(11-17(18)19)29-14-15-7-5-4-6-8-15/h4-12,21,23H,13-14H2,1-3H3,(H,27,28)