4-[phenethyl-(phenylmethyl)amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid

Systemtic Name: 4-[phenethyl-(phenylmethyl)amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid Openeye Name: 4-[benzyl(phenethyl)amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid CAS Name: 4-[phenethyl-(phenylmethyl)amino]-1-butanol; 3,4,5-trimethoxybenzoic acid IUPAC Name: 4-[benzyl(phenethyl)amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid Traditional Name: 4-[benzyl(phenethyl)amino]butan-1-ol; 3,4,5-trimethoxybenzoic acid Formula: C29H37NO6 MolecularWeight: 495.60718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)O.C1=CC=C(C=C1)CCN(CCCCO)CC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)O.C1=CC=C(C=C1)CCN(CCCCO)CC2=CC=CC=C2

InChI

InChI=1S/C19H25NO.C10H12O5/c21-16-8-7-14-20(17-19-11-5-2-6-12-19)15-13-18-9-3-1-4-10-18;1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h1-6,9-12,21H,7-8,13-17H2;4-5H,1-3H3,(H,11,12)