3-[(2S)-hexan-2-yl]-1-(phenylmethyl)indole

Systemtic Name: 3-[(2S)-hexan-2-yl]-1-(phenylmethyl)indole Openeye Name: 1-benzyl-3-[(1S)-1-methylpentyl]indole CAS Name: 3-[(2S)-hexan-2-yl]-1-(phenylmethyl)indole IUPAC Name: 1-benzyl-3-[(2S)-hexan-2-yl]indole Traditional Name: 1-benzyl-3-[(1S)-1-methylpentyl]indole Formula: C21H25N MolecularWeight: 291.4299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCC[C@H](C)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N/c1-3-4-10-17(2)20-16-22(15-18-11-6-5-7-12-18)21-14-9-8-13-19(20)21/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3/t17-/m0/s1