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

Systemtic Name: 4-[(3S)-2-(3-isocyanatopropyl)-3-bicyclo[2.2.2]octanyl]aniline Openeye Name: 4-[(3S)-2-(3-isocyanatopropyl)-3-bicyclo[2.2.2]octanyl]aniline CAS Name: 4-[(3S)-2-(3-isocyanatopropyl)-3-bicyclo[2.2.2]octanyl]aniline IUPAC Name: 4-[(3S)-2-(3-isocyanatopropyl)-3-bicyclo[2.2.2]octanyl]aniline Traditional Name: [4-[(3S)-2-(3-isocyanatopropyl)-3-bicyclo[2.2.2]octanyl]phenyl]amine Formula: C18H24N2O MolecularWeight: 284.39596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC2CCC1[C@@H](C2CCCN=C=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C18H24N2O/c19-16-9-7-15(8-10-16)18-14-5-3-13(4-6-14)17(18)2-1-11-20-12-21/h7-10,13-14,17-18H,1-6,11,19H2/t13?,14?,17?,18-/m1/s1