4-[[6-(tert-butylcarbamoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-(tert-butylcarbamoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(tert-butylcarbamoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[[(tert-butylamino)-oxomethyl]amino]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(tert-butylcarbamoylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(tert-butylcarbamoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H25N3O4/c1-22(2,3)24-21(28)23-17-8-7-14-9-10-25(18(14)12-17)13-16-6-5-15(20(26)27)11-19(16)29-4/h5-12H,13H2,1-4H3,(H,26,27)(H2,23,24,28)