4-[4-(aminomethyl)phenyl]-2-(ethylcarbamoyl)-1-(methylamino)-3-propyl-indole-5-carboxylic acid

Systemtic Name: 4-[4-(aminomethyl)phenyl]-2-(ethylcarbamoyl)-1-(methylamino)-3-propyl-indole-5-carboxylic acid Openeye Name: 4-[4-(aminomethyl)phenyl]-2-(ethylcarbamoyl)-1-(methylamino)-3-propyl-indole-5-carboxylic acid CAS Name: 4-[4-(aminomethyl)phenyl]-2-(ethylcarbamoyl)-1-(methylamino)-3-propyl-5-indolecarboxylic acid IUPAC Name: 4-[4-(aminomethyl)phenyl]-2-(ethylcarbamoyl)-1-(methylamino)-3-propylindole-5-carboxylic acid Traditional Name: 4-[4-(aminomethyl)phenyl]-2-(ethylcarbamoyl)-1-(methylamino)-3-propyl-indole-5-carboxylic acid Formula: C23H28N4O3 MolecularWeight: 408.49342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=C1C(=C(C=C2)C(=O)O)C3=CC=C(C=C3)CN)NC)C(=O)NCC

Isomeric SMILES

CCCC1=C(N(C2=C1C(=C(C=C2)C(=O)O)C3=CC=C(C=C3)CN)NC)C(=O)NCC

InChI

InChI=1S/C23H28N4O3/c1-4-6-16-20-18(27(25-3)21(16)22(28)26-5-2)12-11-17(23(29)30)19(20)15-9-7-14(13-24)8-10-15/h7-12,25H,4-6,13,24H2,1-3H3,(H,26,28)(H,29,30)