ethyl 1-[4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C27H33N4O4+ MolecularWeight: 477.57532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CC=C3OC)[NH+]4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC[C@@H](C3=CC=CC=C3OC)[NH+]4CCCC4)C

InChI

InChI=1S/C27H32N4O4/c1-4-35-27(33)23-17-29-31(19(23)2)21-13-11-20(12-14-21)26(32)28-18-24(30-15-7-8-16-30)22-9-5-6-10-25(22)34-3/h5-6,9-14,17,24H,4,7-8,15-16,18H2,1-3H3,(H,28,32)/p+1/t24-/m0/s1