3-[2-(azepan-1-yl)ethanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-(azepan-1-yl)ethanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-(azepan-1-yl)acetyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[2-(1-azepanyl)-1-oxoethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-(azepan-1-yl)acetyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-(azepan-1-yl)acetyl]amino]-4-chloro-benzoic acid Formula: C15H19ClN2O3 MolecularWeight: 310.77596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1CCCN(CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C15H19ClN2O3/c16-12-6-5-11(15(20)21)9-13(12)17-14(19)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H,17,19)(H,20,21)