[5-aminocarbonyl-4,6-diethyl-3-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-2-yl] 2,3-dihydroindole-1-carboxylate

Systemtic Name: [5-aminocarbonyl-4,6-diethyl-3-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-2-yl] 2,3-dihydroindole-1-carboxylate Openeye Name: [5-carbamoyl-4,6-diethyl-3-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-2-yl] indoline-1-carboxylate CAS Name: 2,3-dihydroindole-1-carboxylic acid [3-[anilino(oxo)methyl]-5-carbamoyl-4,6-diethyl-1-propyl-2-pyridin-1-iumyl] ester IUPAC Name: [5-carbamoyl-4,6-diethyl-3-(phenylcarbamoyl)-1-propylpyridin-1-ium-2-yl] 2,3-dihydroindole-1-carboxylate Traditional Name: indoline-1-carboxylic acid [5-carbamoyl-4,6-diethyl-3-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-2-yl] ester Formula: C29H33N4O4+ MolecularWeight: 501.59672

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C(=C1OC(=O)N2CCC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)CC)C(=O)N)CC

Isomeric SMILES

CCC[N+]1=C(C(=C(C(=C1OC(=O)N2CCC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)CC)C(=O)N)CC

InChI

InChI=1S/C29H32N4O4/c1-4-17-32-22(6-3)24(26(30)34)21(5-2)25(27(35)31-20-13-8-7-9-14-20)28(32)37-29(36)33-18-16-19-12-10-11-15-23(19)33/h7-15H,4-6,16-18H2,1-3H3,(H2-,30,31,34,35)/p+1