ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-2-(3-phenylpropylamino)propanoate

Systemtic Name: ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-2-(3-phenylpropylamino)propanoate Openeye Name: ethyl 3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-2-(3-phenylpropylamino)propanoate CAS Name: 3-[5-(1-azepanylmethyl)-2-thiophenyl]-3-hydroxy-2-(3-phenylpropylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-hydroxy-2-(3-phenylpropylamino)propanoate Traditional Name: 3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-2-(3-phenylpropylamino)propionic acid ethyl ester Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C25H36N2O3S/c1-2-30-25(29)23(26-16-10-13-20-11-6-5-7-12-20)24(28)22-15-14-21(31-22)19-27-17-8-3-4-9-18-27/h5-7,11-12,14-15,23-24,26,28H,2-4,8-10,13,16-19H2,1H3