benzoic acid; 1-(tert-butylamino)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol

Systemtic Name: benzoic acid; 1-(tert-butylamino)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol Openeye Name: benzoic acid; 1-(tert-butylamino)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol CAS Name: benzoic acid; 1-(tert-butylamino)-3-[3-(hydroxymethyl)-1-indolyl]-2-propanol IUPAC Name: benzoic acid; 1-(tert-butylamino)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol Traditional Name: benzoic acid; 1-(tert-butylamino)-3-(3-methylolindol-1-yl)propan-2-ol Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(CN1C=C(C2=CC=CC=C21)CO)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(CN1C=C(C2=CC=CC=C21)CO)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H24N2O2.C7H6O2/c1-16(2,3)17-8-13(20)10-18-9-12(11-19)14-6-4-5-7-15(14)18;8-7(9)6-4-2-1-3-5-6/h4-7,9,13,17,19-20H,8,10-11H2,1-3H3;1-5H,(H,8,9)