ethyl 5-[(1Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15,23,24-tetrahydroporphyrin-5-yl]pentanoate

Systemtic Name: ethyl 5-[(1Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15,23,24-tetrahydroporphyrin-5-yl]pentanoate Openeye Name: ethyl 5-[(1Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15,23,24-tetrahydroporphyrin-5-yl]pentanoate CAS Name: 5-[(1Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15,23,24-tetrahydroporphyrin-5-yl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(1Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15,23,24-tetrahydroporphyrin-5-yl]pentanoate Traditional Name: 5-[(1Z)-15-butyl-2,3,7,8,12,13,17,18-octaethyl-5,15,23,24-tetrahydroporphin-5-yl]valeric acid ethyl ester Formula: C47H68N4O2 MolecularWeight: 721.06842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C(=C(N2)C=C3C(=C(C(=N3)C(C4=NC(=CC5=C(C(=C1N5)CC)CC)C(=C4CC)CC)CCCCC(=O)OCC)CC)CC)CC)CC

Isomeric SMILES

CCCCC1C2=C(C(=C(N2)C=C3C(=C(C(=N3)C(C4=N/C(=C\C5=C(C(=C1N5)CC)CC)/C(=C4CC)CC)CCCCC(=O)OCC)CC)CC)CC)CC

InChI

InChI=1S/C47H68N4O2/c1-11-21-24-37-44-33(16-6)29(12-2)39(48-44)27-41-31(14-4)35(18-8)46(50-41)38(25-22-23-26-43(52)53-20-10)47-36(19-9)32(15-5)42(51-47)28-40-30(13-3)34(17-7)45(37)49-40/h27-28,37-38,48-49H,11-26H2,1-10H3/b41-27-,42-28?