O1-tert-butyl O2-methyl (2R,3S)-3-[(6-methoxycarbonyl-4-phenylmethoxy-indol-1-yl)methyl]aziridine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-methyl (2R,3S)-3-[(6-methoxycarbonyl-4-phenylmethoxy-indol-1-yl)methyl]aziridine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-methyl (2R,3S)-3-[(4-benzyloxy-6-methoxycarbonyl-indol-1-yl)methyl]aziridine-1,2-dicarboxylate CAS Name: (2R,3S)-3-[(6-methoxycarbonyl-4-phenylmethoxy-1-indolyl)methyl]aziridine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester IUPAC Name: 1-O-tert-butyl 2-O-methyl (2R,3S)-3-[(6-methoxycarbonyl-4-phenylmethoxyindol-1-yl)methyl]aziridine-1,2-dicarboxylate Traditional Name: (2R,3S)-3-[(4-benzoxy-6-carbomethoxy-indol-1-yl)methyl]ethylenimine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester Formula: C27H30N2O7 MolecularWeight: 494.5363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C1C(=O)OC)CN2C=CC3=C2C=C(C=C3OCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]([C@@H]1C(=O)OC)CN2C=CC3=C2C=C(C=C3OCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H30N2O7/c1-27(2,3)36-26(32)29-21(23(29)25(31)34-5)15-28-12-11-19-20(28)13-18(24(30)33-4)14-22(19)35-16-17-9-7-6-8-10-17/h6-14,21,23H,15-16H2,1-5H3/t21-,23+,29?/m0/s1