benzo[a]heptalene; (2S)-2,6-bis(azanyl)hexanoic acid

Systemtic Name: benzo[a]heptalene; (2S)-2,6-bis(azanyl)hexanoic acid Openeye Name: benzo[a]heptalene; (2S)-2,6-diaminohexanoic acid CAS Name: benzo[a]heptalene; (2S)-2,6-diaminohexanoic acid IUPAC Name: benzo[a]heptalene; (2S)-2,6-diaminohexanoic acid Traditional Name: benzo[a]heptalene; (2S)-2,6-diaminohexanoic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=CC=C3C=CC=CC3=C2C=C1.C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C=CC=C3C=CC=CC3=C2C=C1.C(CCN)C[C@@H](C(=O)O)N

InChI

InChI=1S/C16H12.C6H14N2O2/c1-2-7-13-9-6-10-14-8-4-5-12-16(14)15(13)11-3-1;7-4-2-1-3-5(8)6(9)10/h1-12H;5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1