ethyl 2-[5-[(2-azanylethylamino)-naphthalen-2-yl-methyl]-1,2,3,4-tetrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-[(2-azanylethylamino)-naphthalen-2-yl-methyl]-1,2,3,4-tetrazol-1-yl]ethanoate Openeye Name: ethyl 2-[5-[(2-aminoethylamino)-(2-naphthyl)methyl]tetrazol-1-yl]acetate CAS Name: 2-[5-[(2-aminoethylamino)-(2-naphthalenyl)methyl]-1-tetrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(2-aminoethylamino)-naphthalen-2-ylmethyl]tetrazol-1-yl]acetate Traditional Name: 2-[5-[(2-aminoethylamino)-(2-naphthyl)methyl]tetrazol-1-yl]acetic acid ethyl ester Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NN=N1)C(C2=CC3=CC=CC=C3C=C2)NCCN

Isomeric SMILES

CCOC(=O)CN1C(=NN=N1)C(C2=CC3=CC=CC=C3C=C2)NCCN

InChI

InChI=1S/C18H22N6O2/c1-2-26-16(25)12-24-18(21-22-23-24)17(20-10-9-19)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,17,20H,2,9-10,12,19H2,1H3