methyl (2S)-2-(1-adamantyloxycarbonylamino)-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl (2S)-2-(1-adamantyloxycarbonylamino)-3-(4-nitrophenyl)propanoate Openeye Name: methyl (2S)-2-(1-adamantyloxycarbonylamino)-3-(4-nitrophenyl)propanoate CAS Name: (2S)-2-[[1-adamantyloxy(oxo)methyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantyloxycarbonylamino)-3-(4-nitrophenyl)propanoate Traditional Name: (2S)-2-(1-adamantyloxycarbonylamino)-3-(4-nitrophenyl)propionic acid methyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26N2O6/c1-28-19(24)18(9-13-2-4-17(5-3-13)23(26)27)22-20(25)29-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,14-16,18H,6-12H2,1H3,(H,22,25)/t14?,15?,16?,18-,21?/m0/s1