methyl 4-[[5-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-azepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[5-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-azepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[5-[cyclopropylmethyl(propyl)amino]-2-oxo-azepan-1-yl]methyl]benzoate CAS Name: 4-[[5-[cyclopropylmethyl(propyl)amino]-2-oxo-1-azepanyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[cyclopropylmethyl(propyl)amino]-2-oxoazepan-1-yl]methyl]benzoate Traditional Name: 4-[[5-[cyclopropylmethyl(propyl)amino]-2-keto-azepan-1-yl]methyl]benzoic acid methyl ester Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C2CCC(=O)N(CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCN(CC1CC1)C2CCC(=O)N(CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H32N2O3/c1-3-13-23(15-17-4-5-17)20-10-11-21(25)24(14-12-20)16-18-6-8-19(9-7-18)22(26)27-2/h6-9,17,20H,3-5,10-16H2,1-2H3