2-(acridin-9-ylmethylamino)propanoic acid; methanamine; methane; hydrate

Systemtic Name: 2-(acridin-9-ylmethylamino)propanoic acid; methanamine; methane; hydrate Openeye Name: 2-(acridin-9-ylmethylamino)propanoic acid; methanamine; methane; hydrate CAS Name: 2-(9-acridinylmethylamino)propanoic acid; methanamine; methane; hydrate IUPAC Name: 2-(acridin-9-ylmethylamino)propanoic acid; methanamine; methane; hydrate Traditional Name: 2-(acridin-9-ylmethylamino)propionic acid; methane; methylamine; hydrate Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

C.C.CC(C(=O)O)NCC1=C2C=CC=CC2=NC3=CC=CC=C31.CN.O

Isomeric SMILES

C.C.CC(C(=O)O)NCC1=C2C=CC=CC2=NC3=CC=CC=C31.CN.O

InChI

InChI=1S/C17H16N2O2.CH5N.2CH4.H2O/c1-11(17(20)21)18-10-14-12-6-2-4-8-15(12)19-16-9-5-3-7-13(14)16;1-2;;;/h2-9,11,18H,10H2,1H3,(H,20,21);2H2,1H3;2*1H4;1H2