1-(4-oxidanyl-4-oxidanylidene-butyl)-5-[[4-(3-phenylmethoxypropyl)phenyl]methoxy]indole-2-carboxylic acid

Systemtic Name: 1-(4-oxidanyl-4-oxidanylidene-butyl)-5-[[4-(3-phenylmethoxypropyl)phenyl]methoxy]indole-2-carboxylic acid Openeye Name: 5-[[4-(3-benzyloxypropyl)phenyl]methoxy]-1-(4-hydroxy-4-oxo-butyl)indole-2-carboxylic acid CAS Name: 1-(4-hydroxy-4-oxobutyl)-5-[[4-(3-phenylmethoxypropyl)phenyl]methoxy]-2-indolecarboxylic acid IUPAC Name: 1-(4-hydroxy-4-oxobutyl)-5-[[4-(3-phenylmethoxypropyl)phenyl]methoxy]indole-2-carboxylic acid Traditional Name: 5-[4-(3-benzoxypropyl)benzyl]oxy-1-(4-hydroxy-4-keto-butyl)indole-2-carboxylic acid Formula: C30H31NO6 MolecularWeight: 501.57024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCC2=CC=C(C=C2)COC3=CC4=C(C=C3)N(C(=C4)C(=O)O)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCCCC2=CC=C(C=C2)COC3=CC4=C(C=C3)N(C(=C4)C(=O)O)CCCC(=O)O

InChI

InChI=1S/C30H31NO6/c32-29(33)9-4-16-31-27-15-14-26(18-25(27)19-28(31)30(34)35)37-21-24-12-10-22(11-13-24)8-5-17-36-20-23-6-2-1-3-7-23/h1-3,6-7,10-15,18-19H,4-5,8-9,16-17,20-21H2,(H,32,33)(H,34,35)