4-[(3S)-2-(2-isocyanatoethyl)-3-bicyclo[2.2.2]octanyl]aniline

Systemtic Name: 4-[(3S)-2-(2-isocyanatoethyl)-3-bicyclo[2.2.2]octanyl]aniline Openeye Name: 4-[(3S)-2-(2-isocyanatoethyl)-3-bicyclo[2.2.2]octanyl]aniline CAS Name: 4-[(3S)-2-(2-isocyanatoethyl)-3-bicyclo[2.2.2]octanyl]aniline IUPAC Name: 4-[(3S)-2-(2-isocyanatoethyl)-3-bicyclo[2.2.2]octanyl]aniline Traditional Name: [4-[(3S)-2-(2-isocyanatoethyl)-3-bicyclo[2.2.2]octanyl]phenyl]amine Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(C2C3=CC=C(C=C3)N)CCN=C=O

Isomeric SMILES

C1CC2CCC1[C@@H](C2CCN=C=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C17H22N2O/c18-15-7-5-14(6-8-15)17-13-3-1-12(2-4-13)16(17)9-10-19-11-20/h5-8,12-13,16-17H,1-4,9-10,18H2/t12?,13?,16?,17-/m1/s1