7-oxidanyl-4-[2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanoyl]-1H-indole-2-carboxylic acid

Systemtic Name: 7-oxidanyl-4-[2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethanoyl]-1H-indole-2-carboxylic acid Openeye Name: 4-[2-[[2-(4-benzyloxyphenyl)-1-methyl-ethyl]amino]acetyl]-7-hydroxy-1H-indole-2-carboxylic acid CAS Name: 7-hydroxy-4-[1-oxo-2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 7-hydroxy-4-[2-[1-(4-phenylmethoxyphenyl)propan-2-ylamino]acetyl]-1H-indole-2-carboxylic acid Traditional Name: 4-[2-[[2-(4-benzoxyphenyl)-1-methyl-ethyl]amino]acetyl]-7-hydroxy-1H-indole-2-carboxylic acid Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NCC(=O)C3=C4C=C(NC4=C(C=C3)O)C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NCC(=O)C3=C4C=C(NC4=C(C=C3)O)C(=O)O

InChI

InChI=1S/C27H26N2O5/c1-17(13-18-7-9-20(10-8-18)34-16-19-5-3-2-4-6-19)28-15-25(31)21-11-12-24(30)26-22(21)14-23(29-26)27(32)33/h2-12,14,17,28-30H,13,15-16H2,1H3,(H,32,33)