2-[7-[(4-azanylbutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-azanylbutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]ethanoic acid Openeye Name: 2-[7-[(4-aminobutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetic acid CAS Name: 2-[7-[[(4-amino-1-oxobutyl)amino]methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetic acid IUPAC Name: 2-[7-[(4-aminobutanoylamino)methyl]-8,9-dihydro-5H-benzo[7]annulen-9-yl]acetic acid Traditional Name: 2-[7-[(4-aminobutanoylamino)methyl]-8,9-dihydro-5H-benzocyclohepten-9-yl]acetic acid Formula: C18H24N2O3 MolecularWeight: 316.39476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C2=CC=CC=C21)CC(=O)O)CNC(=O)CCCN

Isomeric SMILES

C1C=C(CC(C2=CC=CC=C21)CC(=O)O)CNC(=O)CCCN

InChI

InChI=1S/C18H24N2O3/c19-9-3-6-17(21)20-12-13-7-8-14-4-1-2-5-16(14)15(10-13)11-18(22)23/h1-2,4-5,7,15H,3,6,8-12,19H2,(H,20,21)(H,22,23)