methyl 1-[4-[[1-[(4-ethynylphenyl)carbamoyl]-4-methoxy-pyrrolidin-2-yl]carbonylamino]phenyl]-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[4-[[1-[(4-ethynylphenyl)carbamoyl]-4-methoxy-pyrrolidin-2-yl]carbonylamino]phenyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: methyl 1-[4-[[1-[(4-ethynylphenyl)carbamoyl]-4-methoxy-pyrrolidine-2-carbonyl]amino]phenyl]-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-[4-[[[1-[(4-ethynylanilino)-oxomethyl]-4-methoxy-2-pyrrolidinyl]-oxomethyl]amino]phenyl]-4-hydroxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[1-[(4-ethynylphenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]phenyl]-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-[4-[[1-[(4-ethynylphenyl)carbamoyl]-4-methoxy-prolyl]amino]phenyl]-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C27H30N4O6 MolecularWeight: 506.5503

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)NC2=CC=C(C=C2)C#C)C(=O)NC3=CC=C(C=C3)N4CC(CC4C(=O)OC)O

Isomeric SMILES

COC1CC(N(C1)C(=O)NC2=CC=C(C=C2)C#C)C(=O)NC3=CC=C(C=C3)N4CC(CC4C(=O)OC)O

InChI

InChI=1S/C27H30N4O6/c1-4-17-5-7-19(8-6-17)29-27(35)31-16-22(36-2)14-23(31)25(33)28-18-9-11-20(12-10-18)30-15-21(32)13-24(30)26(34)37-3/h1,5-12,21-24,32H,13-16H2,2-3H3,(H,28,33)(H,29,35)