2-dimethylaminoethyl N-[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]carbamate

Systemtic Name: 2-dimethylaminoethyl N-[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]carbamate Openeye Name: 2-dimethylaminoethyl N-[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]carbamate CAS Name: N-[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]carbamic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl N-[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]carbamate Traditional Name: N-[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]carbamic acid 2-dimethylaminoethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)NC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCOC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O4/c1-23(2)7-8-28-19(25)22-21-12-15-9-16(13-21)11-20(10-15,14-21)17-3-5-18(6-4-17)24(26)27/h3-6,15-16H,7-14H2,1-2H3,(H,22,25)/t15-,16+,20?,21?