tert-butyl (2S,4R)-2-[(4-ethylphenyl)carbamoyl]-4-(isoquinolin-6-ylamino)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4R)-2-[(4-ethylphenyl)carbamoyl]-4-(isoquinolin-6-ylamino)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4R)-2-[(4-ethylphenyl)carbamoyl]-4-(6-isoquinolylamino)pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-[(4-ethylanilino)-oxomethyl]-4-(6-isoquinolinylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-2-[(4-ethylphenyl)carbamoyl]-4-(isoquinolin-6-ylamino)pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-[(4-ethylphenyl)carbamoyl]-4-(6-isoquinolylamino)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CC(CN2C(=O)OC(C)(C)C)NC3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)OC(C)(C)C)NC3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C27H32N4O3/c1-5-18-6-9-21(10-7-18)30-25(32)24-15-23(17-31(24)26(33)34-27(2,3)4)29-22-11-8-20-16-28-13-12-19(20)14-22/h6-14,16,23-24,29H,5,15,17H2,1-4H3,(H,30,32)/t23-,24+/m1/s1