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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-4-24(5-2)22(28)23-18-9-8-15-10-11-25(19(15)13-18)14-17-7-6-16(21(26)27)12-20(17)29-3/h6-13H,4-5,14H2,1-3H3,(H,23,28)(H,26,27)