ethyl 2-[4-[[4-(azepan-1-ylmethyl)piperidin-1-yl]carbonylamino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[[4-(azepan-1-ylmethyl)piperidin-1-yl]carbonylamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[4-(azepan-1-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate CAS Name: 2-[4-[[[4-(1-azepanylmethyl)-1-piperidinyl]-oxomethyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[4-(azepan-1-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate Traditional Name: 2-[4-[[4-(azepan-1-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid ethyl ester Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)NC(=O)N2CCC(CC2)CN3CCCCCC3

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)NC(=O)N2CCC(CC2)CN3CCCCCC3

InChI

InChI=1S/C23H35N3O3/c1-2-29-22(27)17-19-7-9-21(10-8-19)24-23(28)26-15-11-20(12-16-26)18-25-13-5-3-4-6-14-25/h7-10,20H,2-6,11-18H2,1H3,(H,24,28)