4-[(4-dimethylaminophenyl)-[(Z)-1-phenylethylideneamino]oxy-methyl]-N,N-dimethyl-aniline hydrate

Systemtic Name: 4-[(4-dimethylaminophenyl)-[(Z)-1-phenylethylideneamino]oxy-methyl]-N,N-dimethyl-aniline hydrate Openeye Name: 4-[(4-dimethylaminophenyl)-[(Z)-1-phenylethylideneamino]oxy-methyl]-N,N-dimethyl-aniline hydrate CAS Name: 4-[(4-dimethylaminophenyl)-[(Z)-1-phenylethylideneamino]oxymethyl]-N,N-dimethylaniline hydrate IUPAC Name: 4-[(4-dimethylaminophenyl)-[(Z)-1-phenylethylideneamino]oxymethyl]-N,N-dimethylaniline hydrate Traditional Name: [4-[(4-dimethylaminophenyl)-[(Z)-1-phenylethylideneamino]oxy-methyl]phenyl]-dimethyl-amine hydrate Formula: C50H60N6O3 MolecularWeight: 793.0498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3.CC(=NOC(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3.O

Isomeric SMILES

C/C(=N/OC(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C)/C3=CC=CC=C3.C/C(=N/OC(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C)/C3=CC=CC=C3.O

InChI

InChI=1S/2C25H29N3O.H2O/c2*1-19(20-9-7-6-8-10-20)26-29-25(21-11-15-23(16-12-21)27(2)3)22-13-17-24(18-14-22)28(4)5;/h2*6-18,25H,1-5H3;1H2/b2*26-19-;