methyl 3-azanyl-4-[[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]amino]benzoate

Systemtic Name: methyl 3-azanyl-4-[[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]amino]benzoate Openeye Name: methyl 3-amino-4-[3-(4-ethyl-1,4-diazepan-1-yl)anilino]benzoate CAS Name: 3-amino-4-[3-(4-ethyl-1,4-diazepan-1-yl)anilino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[3-(4-ethyl-1,4-diazepan-1-yl)anilino]benzoate Traditional Name: 3-amino-4-[3-(4-ethyl-1,4-diazepan-1-yl)anilino]benzoic acid methyl ester Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OC)N

Isomeric SMILES

CCN1CCCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OC)N

InChI

InChI=1S/C21H28N4O2/c1-3-24-10-5-11-25(13-12-24)18-7-4-6-17(15-18)23-20-9-8-16(14-19(20)22)21(26)27-2/h4,6-9,14-15,23H,3,5,10-13,22H2,1-2H3