1-(2-dimethylaminoethyl)-5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]indole-2-carboxylic acid

Systemtic Name: 1-(2-dimethylaminoethyl)-5-[3-(4-octylphenoxy)-2-oxidanylidene-propoxy]indole-2-carboxylic acid Openeye Name: 1-(2-dimethylaminoethyl)-5-[3-(4-octylphenoxy)-2-oxo-propoxy]indole-2-carboxylic acid CAS Name: 1-(2-dimethylaminoethyl)-5-[3-(4-octylphenoxy)-2-oxopropoxy]-2-indolecarboxylic acid IUPAC Name: 1-(2-dimethylaminoethyl)-5-[3-(4-octylphenoxy)-2-oxopropoxy]indole-2-carboxylic acid Traditional Name: 1-(2-dimethylaminoethyl)-5-[2-keto-3-(4-octylphenoxy)propoxy]indole-2-carboxylic acid Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CCN(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CCN(C)C

InChI

InChI=1S/C30H40N2O5/c1-4-5-6-7-8-9-10-23-11-13-26(14-12-23)36-21-25(33)22-37-27-15-16-28-24(19-27)20-29(30(34)35)32(28)18-17-31(2)3/h11-16,19-20H,4-10,17-18,21-22H2,1-3H3,(H,34,35)