methyl 1-[2-[3-(azepan-1-yl)propylamino]-2-oxidanylidene-ethyl]-5-(furan-2-yl)pyrrole-2-carboxylate

Systemtic Name: methyl 1-[2-[3-(azepan-1-yl)propylamino]-2-oxidanylidene-ethyl]-5-(furan-2-yl)pyrrole-2-carboxylate Openeye Name: methyl 1-[2-[3-(azepan-1-yl)propylamino]-2-oxo-ethyl]-5-(2-furyl)pyrrole-2-carboxylate CAS Name: 1-[2-[3-(1-azepanyl)propylamino]-2-oxoethyl]-5-(2-furanyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(azepan-1-yl)propylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate Traditional Name: 1-[2-[3-(azepan-1-yl)propylamino]-2-keto-ethyl]-5-(2-furyl)pyrrole-2-carboxylic acid methyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(N1CC(=O)NCCCN2CCCCCC2)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(N1CC(=O)NCCCN2CCCCCC2)C3=CC=CO3

InChI

InChI=1S/C21H29N3O4/c1-27-21(26)18-10-9-17(19-8-6-15-28-19)24(18)16-20(25)22-11-7-14-23-12-4-2-3-5-13-23/h6,8-10,15H,2-5,7,11-14,16H2,1H3,(H,22,25)