4-(azepan-2-ylmethyl)aniline; benzoic acid

Systemtic Name: 4-(azepan-2-ylmethyl)aniline; benzoic acid Openeye Name: 4-(azepan-2-ylmethyl)aniline; benzoic acid CAS Name: 4-(2-azepanylmethyl)aniline; benzoic acid IUPAC Name: 4-(azepan-2-ylmethyl)aniline; benzoic acid Traditional Name: [4-(azepan-2-ylmethyl)phenyl]amine; benzoic acid Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)CC2=CC=C(C=C2)N.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CCC(NCC1)CC2=CC=C(C=C2)N.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H20N2.C7H6O2/c14-12-7-5-11(6-8-12)10-13-4-2-1-3-9-15-13;8-7(9)6-4-2-1-3-5-6/h5-8,13,15H,1-4,9-10,14H2;1-5H,(H,8,9)