(3S)-3-[bis(phenylmethyl)amino]-4-(5-methoxyindol-1-yl)butan-1-ol

Systemtic Name: (3S)-3-[bis(phenylmethyl)amino]-4-(5-methoxyindol-1-yl)butan-1-ol Openeye Name: (3S)-3-(dibenzylamino)-4-(5-methoxyindol-1-yl)butan-1-ol CAS Name: (3S)-3-[bis(phenylmethyl)amino]-4-(5-methoxy-1-indolyl)-1-butanol IUPAC Name: (3S)-3-(dibenzylamino)-4-(5-methoxyindol-1-yl)butan-1-ol Traditional Name: (3S)-3-(dibenzylamino)-4-(5-methoxyindol-1-yl)butan-1-ol Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2)CC(CCO)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2)C[C@H](CCO)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2/c1-31-26-12-13-27-24(18-26)14-16-28(27)21-25(15-17-30)29(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23/h2-14,16,18,25,30H,15,17,19-21H2,1H3/t25-/m0/s1