ethyl 5-methoxy-3-[[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: ethyl 5-methoxy-3-[[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[(2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methoxy-3-[[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-methoxy-3-[[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C26H33N4O5+ MolecularWeight: 481.56402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)C(C)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H32N4O5/c1-5-35-26(32)24-23(19-16-18(33-3)10-11-20(19)27-24)28-25(31)17(2)29-12-14-30(15-13-29)21-8-6-7-9-22(21)34-4/h6-11,16-17,27H,5,12-15H2,1-4H3,(H,28,31)/p+1/t17-/m0/s1