methyl (2S,4R)-4-[(5-chloranyl-3-phenyl-1H-indol-2-yl)carbonylamino]-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(5-chloranyl-3-phenyl-1H-indol-2-yl)carbonylamino]-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(5-chloro-3-phenyl-1H-indole-2-carbonyl)amino]-1-(4-quinolylmethyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-[[(5-chloro-3-phenyl-1H-indol-2-yl)-oxomethyl]amino]-1-(4-quinolinylmethyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(5-chloro-3-phenyl-1H-indole-2-carbonyl)amino]-1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-[(5-chloro-3-phenyl-1H-indole-2-carbonyl)amino]-1-(4-quinolylmethyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C31H27ClN4O3 MolecularWeight: 539.02408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1CC2=CC=NC3=CC=CC=C23)NC(=O)C4=C(C5=C(N4)C=CC(=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1CC2=CC=NC3=CC=CC=C23)NC(=O)C4=C(C5=C(N4)C=CC(=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C31H27ClN4O3/c1-39-31(38)27-16-22(18-36(27)17-20-13-14-33-25-10-6-5-9-23(20)25)34-30(37)29-28(19-7-3-2-4-8-19)24-15-21(32)11-12-26(24)35-29/h2-15,22,27,35H,16-18H2,1H3,(H,34,37)/t22-,27+/m1/s1