[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-azanylbenzoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-azanylbenzoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H25N3O3/c22-17-7-5-16(6-8-17)21(26)27-15-20(25)23-18-9-11-19(12-10-18)24-13-3-1-2-4-14-24/h5-12H,1-4,13-15,22H2,(H,23,25)