2-[[6-[2-(butylamino)-2-oxidanylidene-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 2-[[6-[2-(butylamino)-2-oxidanylidene-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 2-[[6-[2-(butylamino)-2-oxo-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 2-[[6-[2-(butylamino)-2-oxoethyl]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 2-[[6-[2-(butylamino)-2-oxoethyl]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 2-[[6-[2-(butylamino)-2-keto-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1=CC2=C(C=C1)C=CN2CC3=C(C=CC=C3OC)C(=O)O

Isomeric SMILES

CCCCNC(=O)CC1=CC2=C(C=C1)C=CN2CC3=C(C=CC=C3OC)C(=O)O

InChI

InChI=1S/C23H26N2O4/c1-3-4-11-24-22(26)14-16-8-9-17-10-12-25(20(17)13-16)15-19-18(23(27)28)6-5-7-21(19)29-2/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H,24,26)(H,27,28)