4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-chloranyl-aniline

Systemtic Name: 4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]-3-chloranyl-aniline Openeye Name: 4-[3-(1-adamantyl)-4-benzyloxy-phenyl]-3-chloro-aniline CAS Name: 4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chloroaniline IUPAC Name: 4-[3-(1-adamantyl)-4-phenylmethoxyphenyl]-3-chloroaniline Traditional Name: [4-[3-(1-adamantyl)-4-benzoxy-phenyl]-3-chloro-phenyl]amine Formula: C29H30ClNO MolecularWeight: 444.0076

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=C(C=C(C=C5)N)Cl)OCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=C(C=C(C=C5)N)Cl)OCC6=CC=CC=C6

InChI

InChI=1S/C29H30ClNO/c30-27-14-24(31)7-8-25(27)23-6-9-28(32-18-19-4-2-1-3-5-19)26(13-23)29-15-20-10-21(16-29)12-22(11-20)17-29/h1-9,13-14,20-22H,10-12,15-18,31H2