3,5-bis(azanyl)benzoic acid; 4-[ethyl(phenethyl)amino]butan-1-ol

Systemtic Name: 3,5-bis(azanyl)benzoic acid; 4-[ethyl(phenethyl)amino]butan-1-ol Openeye Name: 3,5-diaminobenzoic acid; 4-[ethyl(phenethyl)amino]butan-1-ol CAS Name: 3,5-diaminobenzoic acid; 4-[ethyl(phenethyl)amino]-1-butanol IUPAC Name: 3,5-diaminobenzoic acid; 4-[ethyl(phenethyl)amino]butan-1-ol Traditional Name: 3,5-diaminobenzoic acid; 4-[ethyl(phenethyl)amino]butan-1-ol Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCO)CCC1=CC=CC=C1.C1=C(C=C(C=C1N)N)C(=O)O

Isomeric SMILES

CCN(CCCCO)CCC1=CC=CC=C1.C1=C(C=C(C=C1N)N)C(=O)O

InChI

InChI=1S/C14H23NO.C7H8N2O2/c1-2-15(11-6-7-13-16)12-10-14-8-4-3-5-9-14;8-5-1-4(7(10)11)2-6(9)3-5/h3-5,8-9,16H,2,6-7,10-13H2,1H3;1-3H,8-9H2,(H,10,11)