tert-butyl N-[5-methyl-4-oxidanylidene-2-[(2S)-2-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]-3,1-benzoxazin-6-yl]carbamate

Systemtic Name: tert-butyl N-[5-methyl-4-oxidanylidene-2-[(2S)-2-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]-3,1-benzoxazin-6-yl]carbamate Openeye Name: tert-butyl N-[5-methyl-4-oxo-2-[(2S)-2-(3-pyridylmethylcarbamoyl)pyrrolidin-1-yl]-3,1-benzoxazin-6-yl]carbamate CAS Name: N-[5-methyl-4-oxo-2-[(2S)-2-[oxo-(3-pyridinylmethylamino)methyl]-1-pyrrolidinyl]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-methyl-4-oxo-2-[(2S)-2-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]-3,1-benzoxazin-6-yl]carbamate Traditional Name: N-[4-keto-5-methyl-2-[(2S)-2-(3-pyridylmethylcarbamoyl)pyrrolidino]-3,1-benzoxazin-6-yl]carbamic acid tert-butyl ester Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)N3CCCC3C(=O)NCC4=CN=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N3CCC[C@H]3C(=O)NCC4=CN=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H29N5O5/c1-15-17(29-24(33)35-25(2,3)4)9-10-18-20(15)22(32)34-23(28-18)30-12-6-8-19(30)21(31)27-14-16-7-5-11-26-13-16/h5,7,9-11,13,19H,6,8,12,14H2,1-4H3,(H,27,31)(H,29,33)/t19-/m0/s1