ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]carbamoylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]carbamoylamino]ethanoate Openeye Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]carbamoylamino]acetate CAS Name: 2-[[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-ethoxypropylamino)-oxomethyl]anilino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]carbamoylamino]acetate Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]carbamoylamino]acetic acid ethyl ester Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NCC(=O)OCC)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NCC(=O)OCC)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C26H34N4O5/c1-3-34-15-7-13-27-25(32)22-16-21(29-26(33)28-17-24(31)35-4-2)10-11-23(22)30-14-12-19-8-5-6-9-20(19)18-30/h5-6,8-11,16H,3-4,7,12-15,17-18H2,1-2H3,(H,27,32)(H2,28,29,33)