2-[4-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]phenyl]acetic acid CAS Name: 2-[4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]phenyl]acetic acid Traditional Name: 2-[4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]phenyl]acetic acid Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CC2=CC=C(C=C2)CC(=O)O)N

Isomeric SMILES

C1CCC(=NC(C1)CC2=CC=C(C=C2)CC(=O)O)N

InChI

InChI=1S/C15H20N2O2/c16-14-4-2-1-3-13(17-14)9-11-5-7-12(8-6-11)10-15(18)19/h5-8,13H,1-4,9-10H2,(H2,16,17)(H,18,19)