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

Systemtic Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-methoxypropylamino)-oxomethyl]anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]carbamoylamino]benzoate Traditional Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C30H34N4O5 MolecularWeight: 530.61476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCCOC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCCOC

InChI

InChI=1S/C30H34N4O5/c1-3-39-29(36)22-9-11-24(12-10-22)32-30(37)33-25-13-14-27(26(19-25)28(35)31-16-6-18-38-2)34-17-15-21-7-4-5-8-23(21)20-34/h4-5,7-14,19H,3,6,15-18,20H2,1-2H3,(H,31,35)(H2,32,33,37)