2-[3-[[1-ethoxy-4-(1H-indol-3-yl)-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[1-ethoxy-4-(1H-indol-3-yl)-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[[1-ethoxycarbonyl-3-(1H-indol-3-yl)propyl]amino]-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[3-[[1-ethoxy-4-(1H-indol-3-yl)-1-oxobutan-2-yl]amino]-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[3-[[1-ethoxy-4-(1H-indol-3-yl)-1-oxobutan-2-yl]amino]-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[3-[[1-carbethoxy-3-(1H-indol-3-yl)propyl]amino]-2-keto-azepan-1-yl]acetic acid Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CNC2=CC=CC=C21)NC3CCCCN(C3=O)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CNC2=CC=CC=C21)NC3CCCCN(C3=O)CC(=O)O

InChI

InChI=1S/C22H29N3O5/c1-2-30-22(29)19(11-10-15-13-23-17-8-4-3-7-16(15)17)24-18-9-5-6-12-25(21(18)28)14-20(26)27/h3-4,7-8,13,18-19,23-24H,2,5-6,9-12,14H2,1H3,(H,26,27)